[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate

C14H16F2O3 — CID 18442884

IUPAC[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@@H](O)C(=O)O[C@@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C14H16F2O3/c1-9-2-4-10(5-3-9)12(17)13(18)19-11-6-7-14(15,16)8-11/h2-5,11-12,17H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyUZMQJTNGXFKPLP-VXGBXAGGSA-N
MW270.27 g/mol
LogP2.76
Rot. Bonds3

About [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate

[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate (PubChem CID 18442884) has the molecular formula C14H16F2O3 and a molecular weight of 270.27 g/mol. Its IUPAC name is [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate
PubChem CID18442884
Molecular FormulaC14H16F2O3
Molecular Weight270.27 g/mol
Exact Mass270.11
IUPAC Name[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCc1ccc([C@@H](O)C(=O)O[C@@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C14H16F2O3/c1-9-2-4-10(5-3-9)12(17)13(18)19-11-6-7-14(15,16)8-11/h2-5,11-12,17H,6-8H2,1H3/t11-,12-/m1/s1
InChIKeyUZMQJTNGXFKPLP-VXGBXAGGSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate
CID 18442883
(3,3-difluorocyclopentyl) 2-methylpropanoate
CID 155710616
tert-butyl 2-(3,3-difluorocyclopentyl)-2-(4-methylphenyl)acetate
CID 58136426
(3,3-difluorocyclopentyl) N-methylcarbamate
CID 118332585
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
1-(3,3-difluorocyclopentyl)ethanone;N',4-dimethylbenzenecarboximidamide
CID 170786322
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
CID 5821
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
CID 4979373
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-(4-methylphenyl)acetic acid
CID 69075532
(1S)-3,3-difluorocyclohexan-1-amine;4-methylbenzenesulfonic acid
CID 138684438
(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
CID 142025460
(3,3-difluorocyclopentyl) N-(disulfanyl)carbamate
CID 130306507

Frequently Asked Questions

What is the IUPAC name of [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate?
The IUPAC name of [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate (CID 18442884) is [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate.
What is the SMILES notation for [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate?
The canonical SMILES for [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate is Cc1ccc([C@@H](O)C(=O)O[C@@H]2CCC(F)(F)C2)cc1.
What is the InChIKey of [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate?
The InChIKey is UZMQJTNGXFKPLP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-9-2-4-10(5-3-9)12(17)13(18)19-11-6-7-14(15,16)8-11/h2-5,11-12,17H,6-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate?
[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate has a molecular weight of 270.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate is sourced from PubChem (CID 18442884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).