2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol

C9H15F3O2 — CID 118218175

IUPAC2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol
SMILESOCC[C@@H]1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h7-8,13H,1-6H2/t7-,8?/m0/s1
InChIKeyIUKOKANFJLIAJN-JAMMHHFISA-N
MW212.21 g/mol
LogP2.46
Rot. Bonds3

About 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol

2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol (PubChem CID 118218175) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol
PubChem CID118218175
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol
SMILESOCC[C@@H]1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h7-8,13H,1-6H2/t7-,8?/m0/s1
InChIKeyIUKOKANFJLIAJN-JAMMHHFISA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol?
The IUPAC name of 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol (CID 118218175) is 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol.
What is the SMILES notation for 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol?
The canonical SMILES for 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol is OCC[C@@H]1CCCC(OC(F)(F)F)C1.
What is the InChIKey of 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol?
The InChIKey is IUKOKANFJLIAJN-JAMMHHFISA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h7-8,13H,1-6H2/t7-,8?/m0/s1.
What are the key properties of 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol?
2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol has a molecular weight of 212.21 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-(trifluoromethoxy)cyclohexyl]ethanol is sourced from PubChem (CID 118218175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).