[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol

C8H13F3O — CID 67981540

IUPAC[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C8H13F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7,12H,1-5H2/t6-,7+/m0/s1
InChIKeyUBVIOLAYXMDHEN-NKWVEPMBSA-N
MW182.18 g/mol
LogP2.35
Rot. Bonds1

About [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol

[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 67981540) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID67981540
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@H]1C(F)(F)F
InChIInChI=1S/C8H13F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7,12H,1-5H2/t6-,7+/m0/s1
InChIKeyUBVIOLAYXMDHEN-NKWVEPMBSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol (CID 67981540) is [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol is OC[C@@H]1CCCC[C@H]1C(F)(F)F.
What is the InChIKey of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is UBVIOLAYXMDHEN-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h6-7,12H,1-5H2/t6-,7+/m0/s1.
What are the key properties of [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol?
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 182.18 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 67981540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).