2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone

C12H9ClFNO — CID 63749070

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc[nH]1
InChIInChI=1S/C12H9ClFNO/c13-9-3-1-4-10(14)8(9)7-12(16)11-5-2-6-15-11/h1-6,15H,7H2
InChIKeySKSOENYFJOUUDL-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 63749070) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID63749070
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)c1ccc[nH]1
InChIInChI=1S/C12H9ClFNO/c13-9-3-1-4-10(14)8(9)7-12(16)11-5-2-6-15-11/h1-6,15H,7H2
InChIKeySKSOENYFJOUUDL-UHFFFAOYSA-N
XLogP3.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
2-(2-chloro-6-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 114024581
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362986
2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)ethanone
CID 43337883
2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(6-fluoro-1H-indol-3-yl)ethanone
CID 43163477
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 82883461
1-(2-amino-4-chlorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 64914010
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CID 800932

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone (CID 63749070) is 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone is O=C(Cc1c(F)cccc1Cl)c1ccc[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is SKSOENYFJOUUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-9-3-1-4-10(14)8(9)7-12(16)11-5-2-6-15-11/h1-6,15H,7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 237.66 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 63749070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).