1-methyl-3-(trifluoromethyl)cyclohexan-1-ol

C8H13F3O — CID 18336101

IUPAC1-methyl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3O/c1-7(12)4-2-3-6(5-7)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyJMPWQCUTPMHHRL-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.49
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol

1-methyl-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 18336101) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID18336101
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name1-methyl-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C8H13F3O/c1-7(12)4-2-3-6(5-7)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyJMPWQCUTPMHHRL-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

1,3-Dimethylcyclohexanol
CID 558957
1-Ethyl-3-methylcyclohexan-1-ol
CID 2750694
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
(1S,3S)-1,3-Dimethylcyclohexanol
CID 59649278
7,7,7-Trifluoro-2-methyl-4-(trifluoromethyl)heptan-2-ol
CID 23272296
5-Ethyl-2,2,4,4-tetrafluoro-1-(trifluoromethyl)cyclohexan-1-ol
CID 20760671
1-Methyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 20761417
3-(1,1-Difluoroethyl)-2,2,3-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781753
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-5-methyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 20781754
1,1,1-Trifluoro-6-methyl-2-(trifluoromethyl)heptan-2-ol
CID 21360385
2,2,3,4,4,5,6,6-Octafluoro-3,5-dimethyl-1-[1,1,2,3-tetrafluoro-2-(fluoromethyl)propyl]cyclohexan-1-ol
CID 57562083
2,2,3,4,4,5,6,6-Octafluoro-3,5-dimethyl-1-[1,1,3-trifluoro-2-(fluoromethyl)-2-hydroxypropyl]cyclohexan-1-ol
CID 57562086

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol (CID 18336101) is 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol is CC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is JMPWQCUTPMHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-7(12)4-2-3-6(5-7)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol?
1-methyl-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 182.18 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 18336101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).