Cas no 34844-09-2 (2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal)
34844-09-2 structure
Product Name:2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal
CAS No:34844-09-2
MF:C10H14F6O2
MW:280.207384586334
CID:1470854
PubChem ID:36945
Update Time:2025-04-20
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal Chemical and Physical Properties
Names and Identifiers
-
- 2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal
- BRN 2459957
- HEPTANAL, 2-(1-HYDROXY-2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL)-
- 2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl) heptaldehyde
- Heptanal, 2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-
- 34844-09-2
- 2-(1-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)heptanal
- DTXSID60956317
-
- Inchi： 1S/C10H14F6O2/c1-2-3-4-5-7(6-17)8(18,9(11,12)13)10(14,15)16/h6-7,18H,2-5H2,1H3
- InChI Key： LAGMUDQEYWWRCU-UHFFFAOYSA-N
- SMILES： FC(C(C(F)(F)F)(C(C=O)CCCCC)O)(F)F
Computed Properties
- Exact Mass: 280.08982
- Monoisotopic Mass: 280.089799
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 3.6
Experimental Properties
- Density: 1.264
- Boiling Point: 261.8°C at 760 mmHg
- Flash Point: 112.1°C
- Refractive Index: 1.376
- PSA: 37.3
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptanal Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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