1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

C13H13F3O2 — CID 9167232

IUPAC1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(11(17)18)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,17,18)
InChIKeyAPRXSIMKSSZHHM-UHFFFAOYSA-N
MW258.24 g/mol
LogP3.60
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid

1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 9167232) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID9167232
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(11(17)18)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,17,18)
InChIKeyAPRXSIMKSSZHHM-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid (CID 9167232) is 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is APRXSIMKSSZHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(11(17)18)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,17,18).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[3-(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-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 9167232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).