1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone

C8H6Cl2FNO — CID 171021253

IUPAC1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
SMILESNc1ccc(Cl)c(F)c1C(=O)CCl
InChIInChI=1S/C8H6Cl2FNO/c9-3-6(13)7-5(12)2-1-4(10)8(7)11/h1-2H,3,12H2
InChIKeyOWUJVHOXDJYEBG-UHFFFAOYSA-N
MW222.05 g/mol
LogP2.48
Rot. Bonds2

About 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone

1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone (PubChem CID 171021253) has the molecular formula C8H6Cl2FNO and a molecular weight of 222.05 g/mol. Its IUPAC name is 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
PubChem CID171021253
Molecular FormulaC8H6Cl2FNO
Molecular Weight222.05 g/mol
Exact Mass220.98
IUPAC Name1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
SMILESNc1ccc(Cl)c(F)c1C(=O)CCl
InChIInChI=1S/C8H6Cl2FNO/c9-3-6(13)7-5(12)2-1-4(10)8(7)11/h1-2H,3,12H2
InChIKeyOWUJVHOXDJYEBG-UHFFFAOYSA-N
XLogP2.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2,6-difluorophenyl)-2-chloroethanone
CID 171017114
2-chloro-1-(6-chloro-2-fluoro-3-methylphenyl)ethanone
CID 130775413
1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
CID 171016467
1-(3-amino-6-chloro-2-nitrophenyl)-2-chloroethanone
CID 171022400
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
1-(3-amino-2-chloro-6-hydroxyphenyl)-2-chloroethanone
CID 171022603
4-amino-2-chloro-3-(2-chloroacetyl)benzonitrile
CID 171021852
2-chloro-1-(3,6-dichloro-2-iodophenyl)ethanone
CID 171009335
ethyl 3-amino-6-chloro-2-fluorobenzoate
CID 59418461
3-amino-2-(2-chloroacetyl)-6-methylbenzonitrile
CID 171012587
1-(2-amino-6-fluoro-4-methylphenyl)-2-chloroethanone
CID 171018223
1-(2-amino-4-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011742

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone?
The IUPAC name of 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone (CID 171021253) is 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone is Nc1ccc(Cl)c(F)c1C(=O)CCl.
What is the InChIKey of 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone?
The InChIKey is OWUJVHOXDJYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FNO/c9-3-6(13)7-5(12)2-1-4(10)8(7)11/h1-2H,3,12H2.
What are the key properties of 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone?
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone has a molecular weight of 222.05 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone is sourced from PubChem (CID 171021253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).