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

C9H8BrF4N — CID 102868237

IUPAC2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1Br)C(F)F
InChIInChI=1S/C9H8BrF4N/c1-4(9(13)14)15-8-6(10)2-5(11)3-7(8)12/h2-4,9,15H,1H3
InChIKeyFOWDIEGUDNNILP-UHFFFAOYSA-N
MW286.07 g/mol
LogP3.79
Rot. Bonds3

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

2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline (PubChem CID 102868237) has the molecular formula C9H8BrF4N and a molecular weight of 286.07 g/mol. Its IUPAC name is 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
PubChem CID102868237
Molecular FormulaC9H8BrF4N
Molecular Weight286.07 g/mol
Exact Mass284.98
IUPAC Name2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1Br)C(F)F
InChIInChI=1S/C9H8BrF4N/c1-4(9(13)14)15-8-6(10)2-5(11)3-7(8)12/h2-4,9,15H,1H3
InChIKeyFOWDIEGUDNNILP-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-(2-bromo-4,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43347738
2-bromo-4,6-difluoro-N-(5-methylheptan-3-yl)aniline
CID 43347573
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
CID 102870136
2-bromo-4,6-difluoro-N-undecan-6-ylaniline
CID 63423408
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
3-[1-(2-bromo-4,6-difluoroanilino)ethyl]benzonitrile
CID 43775061
2-bromo-4,6-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881187
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
CID 43347591
2-(2-bromo-4,6-difluoroanilino)-N-cyclopropylpropanamide
CID 43347726

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline (CID 102868237) is 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline is CC(Nc1c(F)cc(F)cc1Br)C(F)F.
What is the InChIKey of 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline?
The InChIKey is FOWDIEGUDNNILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF4N/c1-4(9(13)14)15-8-6(10)2-5(11)3-7(8)12/h2-4,9,15H,1H3.
What are the key properties of 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline?
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline has a molecular weight of 286.07 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline is sourced from PubChem (CID 102868237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).