(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate

C15H18F2O3 — CID 18442883

IUPAC(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate
SMILESCCc1ccc(C(O)C(=O)OC2CCC(F)(F)C2)cc1
InChIInChI=1S/C15H18F2O3/c1-2-10-3-5-11(6-4-10)13(18)14(19)20-12-7-8-15(16,17)9-12/h3-6,12-13,18H,2,7-9H2,1H3
InChIKeyJXQFLCNLCGBHRN-UHFFFAOYSA-N
MW284.30 g/mol
LogP3.01
Rot. Bonds4

About (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate

(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate (PubChem CID 18442883) has the molecular formula C15H18F2O3 and a molecular weight of 284.30 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate
PubChem CID18442883
Molecular FormulaC15H18F2O3
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate
SMILESCCc1ccc(C(O)C(=O)OC2CCC(F)(F)C2)cc1
InChIInChI=1S/C15H18F2O3/c1-2-10-3-5-11(6-4-10)13(18)14(19)20-12-7-8-15(16,17)9-12/h3-6,12-13,18H,2,7-9H2,1H3
InChIKeyJXQFLCNLCGBHRN-UHFFFAOYSA-N
XLogP3.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-3,3-difluorocyclopentyl] (2R)-2-hydroxy-2-(4-methylphenyl)acetate
CID 18442884
(3,3-difluorocyclopentyl) 2-methylpropanoate
CID 155710616
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
(4,4-difluorocyclohexyl) 2-methylbutanoate
CID 167187480
(3,3-difluorocyclopentyl) N-methylcarbamate
CID 118332585
[1-(aminomethyl)-3-methylcyclopentyl]-(4-ethylphenyl)methanol
CID 79137757
(4,4-dimethylcyclohexyl) 2-amino-3-phenylpropanoate
CID 114341404
methyl 2-hydroxy-2-[4-[(1-hydroxycyclopropyl)methyl]phenyl]acetate
CID 117108638
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
(4,4-dimethylcyclohexyl) 4-(aminomethyl)benzoate
CID 114341431
ethyl 3-(4-ethylphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366833

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate?
The IUPAC name of (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate (CID 18442883) is (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate?
The canonical SMILES for (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate is CCc1ccc(C(O)C(=O)OC2CCC(F)(F)C2)cc1.
What is the InChIKey of (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate?
The InChIKey is JXQFLCNLCGBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O3/c1-2-10-3-5-11(6-4-10)13(18)14(19)20-12-7-8-15(16,17)9-12/h3-6,12-13,18H,2,7-9H2,1H3.
What are the key properties of (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate?
(3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate has a molecular weight of 284.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl) 2-(4-ethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 18442883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).