(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate

C13H12ClF2O3- — CID 152760791

IUPAC(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
SMILESO=C([O-])[C@](O)(c1ccc(Cl)cc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H13ClF2O3/c14-10-3-1-8(2-4-10)13(19,11(17)18)9-5-6-12(15,16)7-9/h1-4,9,19H,5-7H2,(H,17,18)/p-1/t9-,13+/m1/s1
InChIKeyLYCBVPMBFSOKQY-RNCFNFMXSA-M
MW289.69 g/mol
LogP1.71
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate

(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate (PubChem CID 152760791) has the molecular formula C13H12ClF2O3- and a molecular weight of 289.69 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
PubChem CID152760791
Molecular FormulaC13H12ClF2O3-
Molecular Weight289.69 g/mol
Exact Mass289.04
IUPAC Name(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
SMILESO=C([O-])[C@](O)(c1ccc(Cl)cc1)[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H13ClF2O3/c14-10-3-1-8(2-4-10)13(19,11(17)18)9-5-6-12(15,16)7-9/h1-4,9,19H,5-7H2,(H,17,18)/p-1/t9-,13+/m1/s1
InChIKeyLYCBVPMBFSOKQY-RNCFNFMXSA-M
XLogP1.71
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-(4-methylphenyl)acetic acid
CID 69075532
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetic acid;hydrobromide
CID 69081566
2-(1-methanimidoylpiperidin-4-yl)ethyl (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
CID 90881930
(1-methanimidoylpiperidin-4-yl)methyl 2-(4-chlorophenyl)-2-(3,3-difluorocyclopentyl)-2-hydroxyacetate;hydrochloride
CID 22594496
4-aminobutyl 2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetate
CID 22594500
1-(4-acetylpiperidin-1-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylethanone
CID 23282926
(2R)-1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone
CID 54416153
trans-(1R,3R)-3-[(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetyl]oxycyclopentane-1-carboxylic acid
CID 69081714
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
(2R)-1-(2,7-diazaspiro[3.5]nonan-7-yl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylethanone;hydrochloride
CID 70262560
(2R)-N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10089233
potassium 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 102059899

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate (CID 152760791) is (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate is O=C([O-])[C@](O)(c1ccc(Cl)cc1)[C@@H]1CCC(F)(F)C1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate?
The InChIKey is LYCBVPMBFSOKQY-RNCFNFMXSA-M. The full InChI is InChI=1S/C13H13ClF2O3/c14-10-3-1-8(2-4-10)13(19,11(17)18)9-5-6-12(15,16)7-9/h1-4,9,19H,5-7H2,(H,17,18)/p-1/t9-,13+/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate?
(2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate has a molecular weight of 289.69 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate is sourced from PubChem (CID 152760791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).