4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine

C12H10BrFN2 — CID 43148755

IUPAC4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10BrFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyGCSJAQZPEIPEDZ-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.91
Rot. Bonds2

About 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine

4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 43148755) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID43148755
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESNc1cc(Br)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C12H10BrFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2
InChIKeyGCSJAQZPEIPEDZ-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 29067383
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
4-bromo-1-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 55211103
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
4-bromo-1-N-(3,5-dichloro-4-fluorophenyl)benzene-1,2-diamine
CID 107571476
4-bromo-1-N-(3,5-dichlorophenyl)benzene-1,2-diamine
CID 29066963
5-bromo-2-(4-fluoroanilino)benzaldehyde
CID 17201740
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
4-bromo-1-N-(2,2-difluoro-1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 29067009

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine (CID 43148755) is 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine is Nc1cc(Br)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is GCSJAQZPEIPEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c13-8-1-6-12(11(15)7-8)16-10-4-2-9(14)3-5-10/h1-7,16H,15H2.
What are the key properties of 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine?
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine has a molecular weight of 281.13 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 43148755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).