2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid

C13H15FO3 — CID 154240806

IUPAC2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)(c1ccccc1)[C@H]1CCC(F)C1
InChIInChI=1S/C13H15FO3/c14-11-7-6-10(8-11)13(17,12(15)16)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8H2,(H,15,16)/t10-,11?,13?/m0/s1
InChIKeyWQWURWJOZVXCIS-ZBOXLXRLSA-N
MW238.26 g/mol
LogP2.10
Rot. Bonds3

About 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid

2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid (PubChem CID 154240806) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid
PubChem CID154240806
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid
SMILESO=C(O)C(O)(c1ccccc1)[C@H]1CCC(F)C1
InChIInChI=1S/C13H15FO3/c14-11-7-6-10(8-11)13(17,12(15)16)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8H2,(H,15,16)/t10-,11?,13?/m0/s1
InChIKeyWQWURWJOZVXCIS-ZBOXLXRLSA-N
XLogP2.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566
(2R)-2-[(1R)-3,3-difluoro-4-hydroxycyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrochloride
CID 69093033
2-cyclopropyl-2-hydroxy-1,2-diphenylethanone
CID 69294173
(2R)-2-[(3S)-3-fluorocyclopentyl]-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide
CID 102016689
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
(3-fluorocyclopentyl)-phenylmethanone
CID 118362801
bis(2-cyclohexyl-3-hydroxyphenyl)methanone;2-cyclohexyl-2-hydroxy-2-phenylacetic acid
CID 175788014
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
2-cyclopentyl-2-(2-fluorophenyl)-2-hydroxyacetic acid
CID 18922154
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclopropyl-2-hydroxy-2-phenylacetamide
CID 10468467

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid?
The IUPAC name of 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid (CID 154240806) is 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid.
What is the SMILES notation for 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid?
The canonical SMILES for 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid is O=C(O)C(O)(c1ccccc1)[C@H]1CCC(F)C1.
What is the InChIKey of 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid?
The InChIKey is WQWURWJOZVXCIS-ZBOXLXRLSA-N. The full InChI is InChI=1S/C13H15FO3/c14-11-7-6-10(8-11)13(17,12(15)16)9-4-2-1-3-5-9/h1-5,10-11,17H,6-8H2,(H,15,16)/t10-,11?,13?/m0/s1.
What are the key properties of 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid?
2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid has a molecular weight of 238.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3-fluorocyclopentyl]-2-hydroxy-2-phenylacetic acid is sourced from PubChem (CID 154240806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).