2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone

C17H14ClFO — CID 115983494

IUPAC2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClFO/c18-16-12(5-4-8-14(16)19)11-15(20)17(9-10-17)13-6-2-1-3-7-13/h1-8H,9-11H2
InChIKeyCWKHIHLYXWONQK-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.32
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone (PubChem CID 115983494) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
PubChem CID115983494
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESO=C(Cc1cccc(F)c1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14ClFO/c18-16-12(5-4-8-14(16)19)11-15(20)17(9-10-17)13-6-2-1-3-7-13/h1-8H,9-11H2
InChIKeyCWKHIHLYXWONQK-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535
1-(1-adamantyl)-2-(2-chloro-3-fluorophenyl)ethanone
CID 115983489
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 114347208
2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 112653397
2-(3-bromo-2,6-difluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 106266060
1-[(2-chloro-3-fluorophenyl)methylamino]cyclopropane-1-carboxylic acid
CID 112652752
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-chloro-2-fluorophenyl)ethanone
CID 103052471
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 65479105
1-(3-chlorophenyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 110438164

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone (CID 115983494) is 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone is O=C(Cc1cccc(F)c1Cl)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone?
The InChIKey is CWKHIHLYXWONQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-16-12(5-4-8-14(16)19)11-15(20)17(9-10-17)13-6-2-1-3-7-13/h1-8H,9-11H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone has a molecular weight of 288.75 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone is sourced from PubChem (CID 115983494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).