2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid

C13H13ClF2O2 — CID 58288424

IUPAC2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)C1CCCC1(F)F
InChIInChI=1S/C13H13ClF2O2/c14-9-5-3-8(4-6-9)11(12(17)18)10-2-1-7-13(10,15)16/h3-6,10-11H,1-2,7H2,(H,17,18)
InChIKeyWCIBQDBUTXADDK-UHFFFAOYSA-N
MW274.69 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid

2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid (PubChem CID 58288424) has the molecular formula C13H13ClF2O2 and a molecular weight of 274.69 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid
PubChem CID58288424
Molecular FormulaC13H13ClF2O2
Molecular Weight274.69 g/mol
Exact Mass274.06
IUPAC Name2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)C1CCCC1(F)F
InChIInChI=1S/C13H13ClF2O2/c14-9-5-3-8(4-6-9)11(12(17)18)10-2-1-7-13(10,15)16/h3-6,10-11H,1-2,7H2,(H,17,18)
InChIKeyWCIBQDBUTXADDK-UHFFFAOYSA-N
XLogP3.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.69
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid (CID 58288424) is 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid is O=C(O)C(c1ccc(Cl)cc1)C1CCCC1(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid?
The InChIKey is WCIBQDBUTXADDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2O2/c14-9-5-3-8(4-6-9)11(12(17)18)10-2-1-7-13(10,15)16/h3-6,10-11H,1-2,7H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid?
2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid has a molecular weight of 274.69 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2,2-difluorocyclopentyl)acetic acid is sourced from PubChem (CID 58288424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).