2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid

C12H12F2O2 — CID 81008993

IUPAC2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1c(F)cccc1F
InChIInChI=1S/C12H12F2O2/c13-9-5-2-6-10(14)11(9)7-3-1-4-8(7)12(15)16/h2,5-8H,1,3-4H2,(H,15,16)
InChIKeyQMTNRUNAJMUHQI-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.93
Rot. Bonds2

About 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid

2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 81008993) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID81008993
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1c(F)cccc1F
InChIInChI=1S/C12H12F2O2/c13-9-5-2-6-10(14)11(9)7-3-1-4-8(7)12(15)16/h2,5-8H,1,3-4H2,(H,15,16)
InChIKeyQMTNRUNAJMUHQI-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid (CID 81008993) is 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is QMTNRUNAJMUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-9-5-2-6-10(14)11(9)7-3-1-4-8(7)12(15)16/h2,5-8H,1,3-4H2,(H,15,16).
What are the key properties of 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid?
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 226.22 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81008993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).