N-bromo-2-fluoroaniline

C6H5BrFN — CID 53446576

IUPACN-bromo-2-fluoroaniline
SMILESFc1ccccc1NBr
InChIInChI=1S/C6H5BrFN/c7-9-6-4-2-1-3-5(6)8/h1-4,9H
InChIKeyPFZOORYCYRPFLK-UHFFFAOYSA-N
MW190.02 g/mol
LogP2.55
Rot. Bonds1

About N-bromo-2-fluoroaniline

N-bromo-2-fluoroaniline (PubChem CID 53446576) has the molecular formula C6H5BrFN and a molecular weight of 190.02 g/mol. Its IUPAC name is N-bromo-2-fluoroaniline.

Molecular Properties

Compound NameN-bromo-2-fluoroaniline
PubChem CID53446576
Molecular FormulaC6H5BrFN
Molecular Weight190.02 g/mol
Exact Mass188.96
IUPAC NameN-bromo-2-fluoroaniline
SMILESFc1ccccc1NBr
InChIInChI=1S/C6H5BrFN/c7-9-6-4-2-1-3-5(6)8/h1-4,9H
InChIKeyPFZOORYCYRPFLK-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.02
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(2-fluorophenyl)hydrazine;hydrochloride
CID 122640482
2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
2-bromo-1-(2-fluoroanilino)-2-methylpropan-1-ol
CID 139471205
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
(2-fluorophenyl)cyanamide
CID 54590721
2-(2-fluoroanilino)-3-methylbutan-1-ol
CID 61317704
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635

Frequently Asked Questions

What is the IUPAC name of N-bromo-2-fluoroaniline?
The IUPAC name of N-bromo-2-fluoroaniline (CID 53446576) is N-bromo-2-fluoroaniline.
What is the SMILES notation for N-bromo-2-fluoroaniline?
The canonical SMILES for N-bromo-2-fluoroaniline is Fc1ccccc1NBr.
What is the InChIKey of N-bromo-2-fluoroaniline?
The InChIKey is PFZOORYCYRPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFN/c7-9-6-4-2-1-3-5(6)8/h1-4,9H.
What are the key properties of N-bromo-2-fluoroaniline?
N-bromo-2-fluoroaniline has a molecular weight of 190.02 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-2-fluoroaniline is sourced from PubChem (CID 53446576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).