1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone

C11H8Cl3FO — CID 138652527

IUPAC1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1C(c2cc(F)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C11H8Cl3FO/c1-5(16)9-10(11(9,13)14)6-2-7(12)4-8(15)3-6/h2-4,9-10H,1H3
InChIKeyHYCLQHNFGPHGLY-UHFFFAOYSA-N
MW281.54 g/mol
LogP3.96
Rot. Bonds2

About 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone

1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone (PubChem CID 138652527) has the molecular formula C11H8Cl3FO and a molecular weight of 281.54 g/mol. Its IUPAC name is 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone
PubChem CID138652527
Molecular FormulaC11H8Cl3FO
Molecular Weight281.54 g/mol
Exact Mass279.96
IUPAC Name1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone
SMILESCC(=O)C1C(c2cc(F)cc(Cl)c2)C1(Cl)Cl
InChIInChI=1S/C11H8Cl3FO/c1-5(16)9-10(11(9,13)14)6-2-7(12)4-8(15)3-6/h2-4,9-10H,1H3
InChIKeyHYCLQHNFGPHGLY-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[(1R,3R)-2,2-dichloro-3-(4-methoxyphenyl)cyclopropyl]-5-fluorobenzene
CID 122615437
3-(3-bromo-5-fluorophenyl)-2,2-dichlorocyclopropane-1-carboxylic acid
CID 122618128
2,2-dichloro-3-(3,5-dichloro-4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 150564885
2-chloro-5-[[(1S,3S)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(2,4,6-trifluorophenyl)benzamide
CID 122617537
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylbenzamide
CID 122618951
methyl 4-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 139533823
2-chloro-5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(5-fluoropyrimidin-2-yl)benzamide
CID 122619229
2,2-dichloro-N-[4-chloro-3-[2-(4-fluorophenyl)acetyl]phenyl]-3-(3,5-dichlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 149029524
5-[[2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-N-(4-fluorophenyl)-2-methylsulfinylbenzamide
CID 122617918
2-bromo-2-chloro-3-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 122618346
N-(3-acetamido-2,4-difluorophenyl)-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]-2,3-difluorobenzamide
CID 140859853
N-(3-acetamido-2,4,6-trifluorophenyl)-2-chloro-5-[[(1R,3R)-2,2-dichloro-3-(3,5-dichlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 140860060

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone?
The IUPAC name of 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone (CID 138652527) is 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone is CC(=O)C1C(c2cc(F)cc(Cl)c2)C1(Cl)Cl.
What is the InChIKey of 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone?
The InChIKey is HYCLQHNFGPHGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3FO/c1-5(16)9-10(11(9,13)14)6-2-7(12)4-8(15)3-6/h2-4,9-10H,1H3.
What are the key properties of 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone?
1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone has a molecular weight of 281.54 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dichloro-3-(3-chloro-5-fluorophenyl)cyclopropyl]ethanone is sourced from PubChem (CID 138652527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).