ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate

C13H11F3N2O2 — CID 162398856

IUPACethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1cc(-n2cccn2)ccc1F
InChIInChI=1S/C13H11F3N2O2/c1-2-20-12(19)13(15,16)10-8-9(4-5-11(10)14)18-7-3-6-17-18/h3-8H,2H2,1H3
InChIKeyCUKZPQQAEHEGCH-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate

ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate (PubChem CID 162398856) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate
PubChem CID162398856
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Nameethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate
SMILESCCOC(=O)C(F)(F)c1cc(-n2cccn2)ccc1F
InChIInChI=1S/C13H11F3N2O2/c1-2-20-12(19)13(15,16)10-8-9(4-5-11(10)14)18-7-3-6-17-18/h3-8H,2H2,1H3
InChIKeyCUKZPQQAEHEGCH-UHFFFAOYSA-N
XLogP2.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-(1H-pyrazol-1-yl)phenyl)acetic acid
CID 12094244
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484386
Methyl 4-(1H-pyrazol-1-yl)benzoate
CID 972639
Ethyl 4-(1H-pyrazol-1-YL)benzoate
CID 973146
Ethyl 2-[5-(3,5-dimethylpyrazol-1-yl)-2-fluorophenyl]-2,2-difluoroacetate
CID 162398156
Ethyl 2,2-difluoro-2-(2-methyl-5-pyrazol-1-ylphenyl)acetate
CID 162398236
Ethyl 2-[3-(4-bromopyrazol-1-yl)phenyl]-2,2-difluoroacetate
CID 162398369
1-O-ethyl 5-O-methyl (4S)-2,2-difluoro-4-(3-pyrazol-1-ylphenyl)pentanedioate
CID 162398371
Ethyl 2,2-difluoro-2-(5-indazol-1-yl-2-methylphenyl)acetate
CID 162398858
Methylethyl 4-pyrazolylbenzoate
CID 2984824
4-[4-(3-hydroxypropyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenecarboxylic acid
CID 3714993
2-fluorobenzyl 4-(1H-pyrazol-1-yl)benzoate
CID 5298156

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate (CID 162398856) is ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate is CCOC(=O)C(F)(F)c1cc(-n2cccn2)ccc1F.
What is the InChIKey of ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate?
The InChIKey is CUKZPQQAEHEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-20-12(19)13(15,16)10-8-9(4-5-11(10)14)18-7-3-6-17-18/h3-8H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate?
ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate has a molecular weight of 284.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(2-fluoro-5-pyrazol-1-ylphenyl)acetate is sourced from PubChem (CID 162398856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).