2-(4-fluorophenyl)cyclopentane-1-carboxylic acid

C12H13FO2 — CID 68728311

IUPAC2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(10)12(14)15/h4-7,10-11H,1-3H2,(H,14,15)
InChIKeyJFQCUKYOMXNXRH-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid

2-(4-fluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 68728311) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID68728311
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1ccc(F)cc1
InChIInChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(10)12(14)15/h4-7,10-11H,1-3H2,(H,14,15)
InChIKeyJFQCUKYOMXNXRH-UHFFFAOYSA-N
XLogP2.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid (CID 68728311) is 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is JFQCUKYOMXNXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(10)12(14)15/h4-7,10-11H,1-3H2,(H,14,15).
What are the key properties of 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid?
2-(4-fluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 208.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 68728311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).