Cas no 90584-39-7 (Dodecanoic acid, 12,12,12-trifluoro-)
90584-39-7 structure
Product Name:Dodecanoic acid, 12,12,12-trifluoro-
CAS No:90584-39-7
MF:C12H21F3O2
MW:254.28915476799
CID:1951224
PubChem ID:9813738
Update Time:2025-04-21
Dodecanoic acid, 12,12,12-trifluoro- Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, 12,12,12-trifluoro-
- 12,12,12-trifluorododecanoic acid
- DTXSID70431084
- 90584-39-7
- DTXCID90381916
- SCHEMBL5247469
-
- Inchi： 1S/C12H21F3O2/c13-12(14,15)10-8-6-4-2-1-3-5-7-9-11(16)17/h1-10H2,(H,16,17)
- InChI Key： LGXRMTOVGFTYHV-UHFFFAOYSA-N
- SMILES： FC(CCCCCCCCCCC(=O)O)(F)F
Computed Properties
- Exact Mass: 254.14936439g/mol
- Monoisotopic Mass: 254.14936439g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 37.3?2
Dodecanoic acid, 12,12,12-trifluoro- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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