(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

C11H16F6O — CID 89281788

IUPAC(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESC[C@@H](C1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O/c1-7(8-5-3-2-4-6-8)9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3/t7-/m0/s1
InChIKeyUGGJFHLELTZOSX-ZETCQYMHSA-N
MW278.24 g/mol
LogP4.06
Rot. Bonds2

About (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol

(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (PubChem CID 89281788) has the molecular formula C11H16F6O and a molecular weight of 278.24 g/mol. Its IUPAC name is (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
PubChem CID89281788
Molecular FormulaC11H16F6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
SMILESC[C@@H](C1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O/c1-7(8-5-3-2-4-6-8)9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3/t7-/m0/s1
InChIKeyUGGJFHLELTZOSX-ZETCQYMHSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The IUPAC name of (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol (CID 89281788) is (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The canonical SMILES for (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is C[C@@H](C1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
The InChIKey is UGGJFHLELTZOSX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16F6O/c1-7(8-5-3-2-4-6-8)9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol?
(3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol has a molecular weight of 278.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclohexyl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 89281788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).