1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride

C10H8ClFO — CID 20724884

IUPAC1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
SMILESO=C(F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H8ClFO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2
InChIKeyYCROPKLGGPRCCO-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.87
Rot. Bonds2

About 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride

1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride (PubChem CID 20724884) has the molecular formula C10H8ClFO and a molecular weight of 198.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride.

Molecular Properties

Compound Name1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
PubChem CID20724884
Molecular FormulaC10H8ClFO
Molecular Weight198.62 g/mol
Exact Mass198.02
IUPAC Name1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
SMILESO=C(F)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C10H8ClFO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2
InChIKeyYCROPKLGGPRCCO-UHFFFAOYSA-N
XLogP2.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride 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

bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
1-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 26357521
formamido 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 175169630
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
N-(2-aminoethyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119382939
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
CID 143493859
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251424
1-(4-chlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclopropane-1-carboxamide
CID 80711321
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride?
The IUPAC name of 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride (CID 20724884) is 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride.
What is the SMILES notation for 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride?
The canonical SMILES for 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride is O=C(F)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride?
The InChIKey is YCROPKLGGPRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2.
What are the key properties of 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride?
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride has a molecular weight of 198.62 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride is sourced from PubChem (CID 20724884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).