2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone

C11H10ClFO — CID 102617613

IUPAC2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H10ClFO/c12-10-4-3-9(13)5-8(10)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVRHZZSWMTKITTB-UHFFFAOYSA-N
MW212.65 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone

2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone (PubChem CID 102617613) has the molecular formula C11H10ClFO and a molecular weight of 212.65 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
PubChem CID102617613
Molecular FormulaC11H10ClFO
Molecular Weight212.65 g/mol
Exact Mass212.04
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone
SMILESO=C(Cc1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H10ClFO/c12-10-4-3-9(13)5-8(10)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyVRHZZSWMTKITTB-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

1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
1-(6-azaspiro[2.5]octan-2-yl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622121
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
1-(2-chloro-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446364
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-one
CID 102617821
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone (CID 102617613) is 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone is O=C(Cc1cc(F)ccc1Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone?
The InChIKey is VRHZZSWMTKITTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO/c12-10-4-3-9(13)5-8(10)6-11(14)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone?
2-(2-chloro-5-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-(2-chloro-5-fluorophenyl)-1-cyclopropylethanone is sourced from PubChem (CID 102617613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).