(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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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).