Cas no 85720-78-1 (1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane)
85720-78-1 structure
Product Name:1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
CAS No:85720-78-1
MF:C6H2F12
MW:302.060924053192
CID:990930
PubChem ID:3020925
Update Time:2025-04-20
1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
- SCHEMBL63509
- JTAGPVKELVRAHG-UHFFFAOYSA-
- 1-(Perfluoro-1-methylethyl)-2-trifluoromethyl-1,2-difluoroethane
- 85720-78-1
- NS00019278
- EINECS 288-384-8
- JTAGPVKELVRAHG-UHFFFAOYSA-N
- DTXSID20881010
- InChI=1/C6H2F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/h1-2H
-
- Inchi： 1S/C6H2F12/c7-1(2(8)4(10,11)12)3(9,5(13,14)15)6(16,17)18/h1-2H
- InChI Key： JTAGPVKELVRAHG-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(C(F)(F)F)C(C(C(F)(F)F)F)F
Computed Properties
- Exact Mass: 301.9964880g/mol
- Monoisotopic Mass: 301.9964880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 0?2
1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
85720-78-1 (1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane) Related Products
- 306-92-3(perfluoro-1-methyldecalin)
- 51294-16-7(Perfluoro(methyldecalin) (Mixture of Isomers))
- 355-02-2(Perfluoro(methylcyclohexane))
- 335-27-3(Hexadecafluoro(1,3-dimethylcyclohexane))
- 355-04-4(Perfluoro-2-methylpentane)
- 3021-63-4(Octane,1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)-)
- 335-21-7(Cyclohexane,1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,2-pentafluoroethyl)-)
- 374-77-6(Cyclohexane,1,1,2,2,3,4,4,5,5,6-decafluoro-3,6-bis(trifluoromethyl)-)
- 1805-22-7(1,1,2,2,3,3,4,4,5-Nonafluoro-5-(Trifluoromethyl)-Cyclopentane)
- 374-76-5(perfluoro-1,3,5-trimethylcyclohexane)
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