Basic information
- CAS
6188-98-3- Standard SMILES
OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
LHMFPLLMFQGGMV-UHFFFAOYSA-N- Molecular formula
- C5HF11O
- Average molar mass
- 286.04 g/mol
- Monoisotopic mass
- 285.98517507
Names & identifiers
- Preferred name
- 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanol
- IUPAC
- 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-ol
- English name
- 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)-2-butanol
- Molecular formula
- C5HF11O
- Molecular weight
- 286.04
Names & synonyms
6188-98-31,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)butan-2-ol1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)-2-butanolCcrl-583DTXSID70210871RefChem:70831DTXCID00133362OCTAFLUORO-2-(TRIFLUOROMETHYL)BUTAN-2-OLMFCD18641900Ccrl 583AI3-29091SCHEMBL3200450
Show more names
SCHEMBL18242757Perfluoro(1,1-dimethylpropan-1-ol)AKOS0160153402-Butanol, 1,1,1,3,3,4,4,4-octafluoro-2-(trifluoromethyl)-
Database identifiers
- CAS
6188-98-3- PubChem CID
- 160813
- DTXSID
DTXSID70210871- Nikkaji
- J464.854D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 67 °C · 67 °C
- Density
- 1.695 · 1.695±0.06 g/cm3(Predicted)
- pka
- 7.03 · 7.03±0.29(Predicted)
Chemistry & industry
Suppliers5 total
常州新氟化学有限公司13275212658 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
1 records
Compound notes
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