2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline

C9H8BrClF3N — CID 107610495

IUPAC2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Br)C(F)F
InChIInChI=1S/C9H8BrClF3N/c1-4(9(13)14)15-8-6(10)2-5(12)3-7(8)11/h2-4,9,15H,1H3
InChIKeyVZUJNHPFYXVUFF-UHFFFAOYSA-N
MW302.52 g/mol
LogP4.31
Rot. Bonds3

About 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline

2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline (PubChem CID 107610495) has the molecular formula C9H8BrClF3N and a molecular weight of 302.52 g/mol. Its IUPAC name is 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
PubChem CID107610495
Molecular FormulaC9H8BrClF3N
Molecular Weight302.52 g/mol
Exact Mass300.95
IUPAC Name2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
SMILESCC(Nc1c(Cl)cc(F)cc1Br)C(F)F
InChIInChI=1S/C9H8BrClF3N/c1-4(9(13)14)15-8-6(10)2-5(12)3-7(8)11/h2-4,9,15H,1H3
InChIKeyVZUJNHPFYXVUFF-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-bromo-N-but-3-yn-2-yl-6-chloro-4-fluoroaniline
CID 107611249
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
4-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]benzonitrile
CID 107610420
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
CID 107610038
2-bromo-6-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-fluoroaniline
CID 107610538
2-[1-(2-bromo-6-chloro-4-fluoroanilino)ethyl]-5-methylphenol
CID 107610722
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline?
The IUPAC name of 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline (CID 107610495) is 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline.
What is the SMILES notation for 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline?
The canonical SMILES for 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline is CC(Nc1c(Cl)cc(F)cc1Br)C(F)F.
What is the InChIKey of 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline?
The InChIKey is VZUJNHPFYXVUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF3N/c1-4(9(13)14)15-8-6(10)2-5(12)3-7(8)11/h2-4,9,15H,1H3.
What are the key properties of 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline?
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline has a molecular weight of 302.52 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline is sourced from PubChem (CID 107610495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).