2-(trifluoromethoxy)cyclohexane-1-carboxylic acid

C8H11F3O3 — CID 137347109

IUPAC2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1OC(F)(F)F
InChIInChI=1S/C8H11F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXOGSAPASFNJFLA-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.17
Rot. Bonds2

About 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid

2-(trifluoromethoxy)cyclohexane-1-carboxylic acid (PubChem CID 137347109) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
PubChem CID137347109
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1OC(F)(F)F
InChIInChI=1S/C8H11F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)
InChIKeyXOGSAPASFNJFLA-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yloxy)cyclohexane-1-carboxylic acid
CID 82239692
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(1,1,1,3-tetrafluoropropan-2-yloxycarbonyl)cyclohexane-1-carboxylic acid
CID 71012816
2-(2,2,2-trifluoroethyl)cyclohexane-1-carboxylic acid
CID 175486493
2-(3-hydroxypropoxy)cycloheptane-1-carboxylic acid
CID 114989146
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
acetic acid;cyclohexane-1,2-dicarboxylic acid
CID 66603349
2-(2-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 82239796
2-(3-methoxypropoxy)cyclohexane-1-carboxylic acid
CID 114989139
2-(2-methylpropoxy)cyclopentane-1-carboxylic acid
CID 18953099
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
(1S)-2-methylcyclohexane-1-carboxylic acid
CID 89206969

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid (CID 137347109) is 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is XOGSAPASFNJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid?
2-(trifluoromethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 212.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 137347109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).