[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate

C13H10F4O3 — CID 175237979

IUPAC[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1F)OC(=O)C1CC1
InChIInChI=1S/C13H10F4O3/c14-10-6-9(13(15,16)17)4-3-8(10)5-11(18)20-12(19)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyWBCKARZJIPPQMM-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.87
Rot. Bonds3

About [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate

[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate (PubChem CID 175237979) has the molecular formula C13H10F4O3 and a molecular weight of 290.21 g/mol. Its IUPAC name is [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
PubChem CID175237979
Molecular FormulaC13H10F4O3
Molecular Weight290.21 g/mol
Exact Mass290.06
IUPAC Name[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
SMILESO=C(Cc1ccc(C(F)(F)F)cc1F)OC(=O)C1CC1
InChIInChI=1S/C13H10F4O3/c14-10-6-9(13(15,16)17)4-3-8(10)5-11(18)20-12(19)7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyWBCKARZJIPPQMM-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate 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

N'-[dideuterio-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-methylcyclopropanecarbohydrazide
CID 171822920
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509624
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylic acid
CID 131964994
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 143615163
cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824
benzyl 3-[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl]-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171942910
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112

Frequently Asked Questions

What is the IUPAC name of [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate?
The IUPAC name of [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate (CID 175237979) is [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate is O=C(Cc1ccc(C(F)(F)F)cc1F)OC(=O)C1CC1.
What is the InChIKey of [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate?
The InChIKey is WBCKARZJIPPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4O3/c14-10-6-9(13(15,16)17)4-3-8(10)5-11(18)20-12(19)7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate?
[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate has a molecular weight of 290.21 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate is sourced from PubChem (CID 175237979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).