(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid

C13H14F2O2 — CID 142025460

IUPAC(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C13H14F2O2/c14-13(15)7-6-10(8-13)11(12(16)17)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyMXPOZPLYEPHEAO-RRKGBCIJSA-N
MW240.25 g/mol
LogP3.29
Rot. Bonds3

About (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid

(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid (PubChem CID 142025460) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
PubChem CID142025460
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
SMILESO=C(O)[C@H](c1ccccc1)C1CCC(F)(F)C1
InChIInChI=1S/C13H14F2O2/c14-13(15)7-6-10(8-13)11(12(16)17)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10?,11-/m1/s1
InChIKeyMXPOZPLYEPHEAO-RRKGBCIJSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-2-(3,3-difluorocyclopentyl)acetic acid
CID 166456570
tert-butyl 2-(3,3-difluorocyclopentyl)-2-(4-methylphenyl)acetate
CID 58136426
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)ethanimidamide
CID 150500954
2-(4-chlorophenyl)-2-(4-fluoro-4-phenylcyclohexyl)acetamide
CID 142798992
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
trans-(1S,2S)-4,4-difluoro-2-phenylcyclohexane-1-carboxylic acid
CID 155163175
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
1-[(3,3-difluorocyclopentyl)methyl]pyrrole-2-carboxylic acid
CID 169049400
N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide
CID 166456654
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid (CID 142025460) is (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid is O=C(O)[C@H](c1ccccc1)C1CCC(F)(F)C1.
What is the InChIKey of (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid?
The InChIKey is MXPOZPLYEPHEAO-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-13(15)7-6-10(8-13)11(12(16)17)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid?
(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid has a molecular weight of 240.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid is sourced from PubChem (CID 142025460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).