5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine

C9H10BrF3N2 — CID 146219796

IUPAC5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
SMILESCC(Nc1cc(Br)cc(F)c1N)C(F)F
InChIInChI=1S/C9H10BrF3N2/c1-4(9(12)13)15-7-3-5(10)2-6(11)8(7)14/h2-4,9,15H,14H2,1H3
InChIKeyMLXIHADHJOZKOR-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.24
Rot. Bonds3

About 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine

5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine (PubChem CID 146219796) has the molecular formula C9H10BrF3N2 and a molecular weight of 283.09 g/mol. Its IUPAC name is 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
PubChem CID146219796
Molecular FormulaC9H10BrF3N2
Molecular Weight283.09 g/mol
Exact Mass282.00
IUPAC Name5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
SMILESCC(Nc1cc(Br)cc(F)c1N)C(F)F
InChIInChI=1S/C9H10BrF3N2/c1-4(9(12)13)15-7-3-5(10)2-6(11)8(7)14/h2-4,9,15H,14H2,1H3
InChIKeyMLXIHADHJOZKOR-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-(2-amino-5-bromo-3-fluoroanilino)butanoate
CID 150106289
1-[4-bromo-2-(1,1-difluoropropan-2-ylamino)-6-fluorophenyl]-3-hydroxybutan-2-one
CID 159239977
4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
CID 102870136
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
4-bromo-2-N-(1,1-difluoropropan-2-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 102868983
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
CID 178170984
4-bromo-2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 107797548
2,3,5-trifluoro-1-N-propan-2-ylbenzene-1,4-diamine
CID 134507065
[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium
CID 170970888
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
1-N-butan-2-yl-3,5-difluorobenzene-1,2-diamine
CID 115506451
4-bromo-2-(bromomethyl)-6-fluoroaniline
CID 130119110

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine (CID 146219796) is 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine is CC(Nc1cc(Br)cc(F)c1N)C(F)F.
What is the InChIKey of 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine?
The InChIKey is MLXIHADHJOZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2/c1-4(9(12)13)15-7-3-5(10)2-6(11)8(7)14/h2-4,9,15H,14H2,1H3.
What are the key properties of 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine?
5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine has a molecular weight of 283.09 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 146219796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).