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

C8H6BrClFNO — CID 171016467

IUPAC1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
SMILESNc1ccc(Br)c(C(=O)CCl)c1F
InChIInChI=1S/C8H6BrClFNO/c9-4-1-2-5(12)8(11)7(4)6(13)3-10/h1-2H,3,12H2
InChIKeyVVNABLZPLIUHCV-UHFFFAOYSA-N
MW266.50 g/mol
LogP2.59
Rot. Bonds2

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

1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone (PubChem CID 171016467) has the molecular formula C8H6BrClFNO and a molecular weight of 266.50 g/mol. Its IUPAC name is 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone.

Molecular Properties

Compound Name1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
PubChem CID171016467
Molecular FormulaC8H6BrClFNO
Molecular Weight266.50 g/mol
Exact Mass264.93
IUPAC Name1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone
SMILESNc1ccc(Br)c(C(=O)CCl)c1F
InChIInChI=1S/C8H6BrClFNO/c9-4-1-2-5(12)8(11)7(4)6(13)3-10/h1-2H,3,12H2
InChIKeyVVNABLZPLIUHCV-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 52.59
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
1-(6-amino-3-chloro-2-fluorophenyl)-2-chloroethanone
CID 171021253
1-(3-bromo-2-fluoro-6-hydroxyphenyl)-2-chloroethanone
CID 130868467
1-(2-amino-3-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011539
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
1-(4-amino-2-bromo-5-fluorophenyl)-2-chloroethanone
CID 171016614
1-(2-bromo-6-methylphenyl)-2-chloroethanone
CID 130742601
1-(3-amino-2-chloro-6-hydroxyphenyl)-2-chloroethanone
CID 171022603
1-[4-bromo-3-fluoro-2-(trifluoromethyl)phenyl]-2-chloroethanone
CID 171001615
3,6-dibromo-2-fluorobenzamide
CID 121228046
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-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone?
The IUPAC name of 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone (CID 171016467) is 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone.
What is the SMILES notation for 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone?
The canonical SMILES for 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone is Nc1ccc(Br)c(C(=O)CCl)c1F.
What is the InChIKey of 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone?
The InChIKey is VVNABLZPLIUHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClFNO/c9-4-1-2-5(12)8(11)7(4)6(13)3-10/h1-2H,3,12H2.
What are the key properties of 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone?
1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone has a molecular weight of 266.50 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-bromo-2-fluorophenyl)-2-chloroethanone is sourced from PubChem (CID 171016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).