2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone

C11H10ClFO — CID 107883911

IUPAC2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C11H10ClFO/c12-9-4-1-7(5-10(9)13)6-11(14)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyMWIPZQFHEYVRAG-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone

2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone (PubChem CID 107883911) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
PubChem CID107883911
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CC1
InChIInChI=1S/C11H10ClFO/c12-9-4-1-7(5-10(9)13)6-11(14)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyMWIPZQFHEYVRAG-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.65
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896
2-(4-chloro-3-fluorophenyl)-1-(4-propylcyclohexyl)ethanone
CID 107883999
2-(4-chloro-3-fluorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 107884081
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
3-(4-chloro-3-fluorophenyl)-1-cyclopentylpropan-1-one
CID 107882824
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
2-(4-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 107890629
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
2-(3,4-difluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82920497
2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
CID 102617613
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042704

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone (CID 107883911) is 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone is O=C(Cc1ccc(Cl)c(F)c1)C1CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone?
The InChIKey is MWIPZQFHEYVRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c12-9-4-1-7(5-10(9)13)6-11(14)8-2-3-8/h1,4-5,8H,2-3,6H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone?
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone has a molecular weight of 212.65 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 107883911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).