[1-(trifluoromethyl)cyclohexyl]methanol

C8H13F3O — CID 86703447

IUPAC[1-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)7(6-12)4-2-1-3-5-7/h12H,1-6H2
InChIKeyMPRWQIILGRHOAG-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.49
Rot. Bonds1

About [1-(trifluoromethyl)cyclohexyl]methanol

[1-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 86703447) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is [1-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(trifluoromethyl)cyclohexyl]methanol
PubChem CID86703447
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name[1-(trifluoromethyl)cyclohexyl]methanol
SMILESOCC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C8H13F3O/c9-8(10,11)7(6-12)4-2-1-3-5-7/h12H,1-6H2
InChIKeyMPRWQIILGRHOAG-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-(trifluoromethyl)cyclohexyl]methanol (CID 86703447) is [1-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-(trifluoromethyl)cyclohexyl]methanol is OCC1(C(F)(F)F)CCCCC1.
What is the InChIKey of [1-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is MPRWQIILGRHOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c9-8(10,11)7(6-12)4-2-1-3-5-7/h12H,1-6H2.
What are the key properties of [1-(trifluoromethyl)cyclohexyl]methanol?
[1-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 182.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 86703447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).