Cas no 121170-45-4 (2-Octanol,1,1,1-trifluoro-, (2R)-)
121170-45-4 structure
Product Name:2-Octanol,1,1,1-trifluoro-, (2R)-
CAS No:121170-45-4
MF:C8H15F3O
MW:184.199313402176
CID:133289
PubChem ID:2779099
Update Time:2025-04-19
2-Octanol,1,1,1-trifluoro-, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Octanol,1,1,1-trifluoro-, (2R)-
- (R)-(+)-1,1,1-Trifluoro-2-octanol
- (R)-(+)-1 1 1-TRIFLUOROOCTAN-2-OL 97
- (R)-(+)-1,1,1-Trifluoro-2-octanol, 97%
- DTXSID10381271
- SCHEMBL1350818
- (2R)-1,1,1-trifluorooctan-2-ol
- 2-Octanol, 1,1,1-trifluoro-, (2R)-
- (r)-1,1,1-trifluoro-2-octanol
- (R)-(+)-1-trifluoromethylheptanol
- (R)-(+)-1 1 1-Trifluorooctan-2-ol97
- 121170-45-4
- starbld0002191
- J-004454
- (R)-1-trifluoromethylheptanol
- (R)-1,1,1-Trifluorooctan-2-ol
-
- Inchi： 1S/C8H15F3O/c1-2-3-4-5-6-7(12)8(9,10)11/h7,12H,2-6H2,1H3/t7-/m1/s1
- InChI Key： INAIBHXNHIEDAM-SSDOTTSWSA-N
- SMILES： FC([C@@H](CCCCCC)O)(F)F
Computed Properties
- Exact Mass: 184.10755
- Monoisotopic Mass: 184.10749958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 111
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.053
- Boiling Point: 192.4°Cat760mmHg
- Flash Point: 71?°C
- Refractive Index: 1.385
- PSA: 20.23
- LogP: 2.88000
- Solubility: Not determined
2-Octanol,1,1,1-trifluoro-, (2R)- Security Information
- Hazardous Material transportation number：NA 1993 / PGIII
- WGK Germany：3
2-Octanol,1,1,1-trifluoro-, (2R)- Related Literature
-
Zhuofu Wu,Wenzhao Li,Zhi Wang,Ling Qin,Yunling Liu,Qisheng Huo,Zhengqiang Li RSC Adv. 2014 4 6103
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