1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

C13H13F3O2 — CID 83412138

IUPAC1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-6-2-1-5-9(10)12(11(17)18)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,17,18)
InChIKeyHTPNEUMCDKIINN-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.60
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 83412138) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID83412138
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-6-2-1-5-9(10)12(11(17)18)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,17,18)
InChIKeyHTPNEUMCDKIINN-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-methoxy-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117465530
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117112349
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117437895
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
CID 117453717
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117404247
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
1-[2,3-dihydroxy-6-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117489484
1-(2-iodophenyl)cyclobutane-1-carboxylic acid
CID 86712326
1-[2-amino-5-(trifluoromethyl)phenyl]cycloheptane-1-carboxylic acid
CID 106702526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (CID 83412138) is 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccccc2C(F)(F)F)CCCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is HTPNEUMCDKIINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-6-2-1-5-9(10)12(11(17)18)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,17,18).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83412138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).