4-bromo-6-chloro-3-fluoro-2-methylaniline

C7H6BrClFN — CID 155161684

IUPAC4-bromo-6-chloro-3-fluoro-2-methylaniline
SMILESCc1c(N)c(Cl)cc(Br)c1F
InChIInChI=1S/C7H6BrClFN/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3
InChIKeyVFQDVTWEVNWEFP-UHFFFAOYSA-N
MW238.49 g/mol
LogP3.13
Rot. Bonds

About 4-bromo-6-chloro-3-fluoro-2-methylaniline

4-bromo-6-chloro-3-fluoro-2-methylaniline (PubChem CID 155161684) has the molecular formula C7H6BrClFN and a molecular weight of 238.49 g/mol. Its IUPAC name is 4-bromo-6-chloro-3-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-bromo-6-chloro-3-fluoro-2-methylaniline
PubChem CID155161684
Molecular FormulaC7H6BrClFN
Molecular Weight238.49 g/mol
Exact Mass236.94
IUPAC Name4-bromo-6-chloro-3-fluoro-2-methylaniline
SMILESCc1c(N)c(Cl)cc(Br)c1F
InChIInChI=1S/C7H6BrClFN/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3
InChIKeyVFQDVTWEVNWEFP-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-6-chloro-4-(trifluoromethyl)aniline
CID 737196
4-Bromo-2-chloro-6-methylaniline
CID 2769626
5-Bromo-1-chloro-2-isocyanato-3-methylbenzene
CID 2769627
4-Bromo-2-chloro-6-(trifluoromethyl)aniline
CID 16217937
2-Bromo-4-chloro-6-(trifluoromethyl)aniline
CID 16218277
4-Bromo-2-chloro-6-fluoroaniline
CID 20434620
2-Amino-5-bromo-3-chlorobenzonitrile
CID 26598311
2-Bromo-4-chloro-6-methylbenzenamine
CID 20543754
N-(4-bromo-2-chloro-6-methylphenyl)methanesulfonamide
CID 89773709
4-Bromo-2-chloro-6-methylaniline hydrochloride
CID 42960873
2-Chloro-4-bromo-5-methyl-6-fluoroaniline
CID 18451500
N-[4-bromo-2-chloro-6-(trifluoromethyl)phenyl]methanesulfonamide
CID 89775130

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-3-fluoro-2-methylaniline?
The IUPAC name of 4-bromo-6-chloro-3-fluoro-2-methylaniline (CID 155161684) is 4-bromo-6-chloro-3-fluoro-2-methylaniline.
What is the SMILES notation for 4-bromo-6-chloro-3-fluoro-2-methylaniline?
The canonical SMILES for 4-bromo-6-chloro-3-fluoro-2-methylaniline is Cc1c(N)c(Cl)cc(Br)c1F.
What is the InChIKey of 4-bromo-6-chloro-3-fluoro-2-methylaniline?
The InChIKey is VFQDVTWEVNWEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFN/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,11H2,1H3.
What are the key properties of 4-bromo-6-chloro-3-fluoro-2-methylaniline?
4-bromo-6-chloro-3-fluoro-2-methylaniline has a molecular weight of 238.49 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-3-fluoro-2-methylaniline is sourced from PubChem (CID 155161684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).