2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline

C12H14BrClFN — CID 107610038

IUPAC2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFN/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h3,6-8,16H,1,4-5H2,2H3
InChIKeyZAFJGYMANYLJGX-UHFFFAOYSA-N
MW306.61 g/mol
LogP5.01
Rot. Bonds5

About 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline

2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline (PubChem CID 107610038) has the molecular formula C12H14BrClFN and a molecular weight of 306.61 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
PubChem CID107610038
Molecular FormulaC12H14BrClFN
Molecular Weight306.61 g/mol
Exact Mass305.00
IUPAC Name2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H14BrClFN/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h3,6-8,16H,1,4-5H2,2H3
InChIKeyZAFJGYMANYLJGX-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.61
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
2-bromo-6-chloro-4-fluoro-N-[1-(4-methoxyphenyl)propan-2-yl]aniline
CID 107610259
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-bromo-6-chloro-4-fluoro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 107610244
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-chloro-4,6-difluoro-N-heptan-2-ylaniline
CID 83081813
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline?
The IUPAC name of 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline (CID 107610038) is 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline.
What is the SMILES notation for 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline?
The canonical SMILES for 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline is C=CCCC(C)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline?
The InChIKey is ZAFJGYMANYLJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFN/c1-3-4-5-8(2)16-12-10(13)6-9(15)7-11(12)14/h3,6-8,16H,1,4-5H2,2H3.
What are the key properties of 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline?
2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline has a molecular weight of 306.61 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline is sourced from PubChem (CID 107610038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).