4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline

C10H11BrF3N — CID 102870136

IUPAC4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NC(C)C(F)F
InChIInChI=1S/C10H11BrF3N/c1-5-3-7(11)8(12)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3
InChIKeyVOXKWFQFBPYHGV-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.96
Rot. Bonds3

About 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline

4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline (PubChem CID 102870136) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
PubChem CID102870136
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
SMILESCc1cc(Br)c(F)cc1NC(C)C(F)F
InChIInChI=1S/C10H11BrF3N/c1-5-3-7(11)8(12)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3
InChIKeyVOXKWFQFBPYHGV-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
3-(5-bromo-4-fluoro-2-methylanilino)-2-methylbutanoic acid
CID 107591918
2-(4-bromo-5-fluoro-2-methylanilino)-3-methylbutanoic acid
CID 103267519
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
CID 146219796
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
4-bromo-N-cyclopropyl-5-fluoro-2-methylaniline
CID 103439382
3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline?
The IUPAC name of 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline (CID 102870136) is 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline?
The canonical SMILES for 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline is Cc1cc(Br)c(F)cc1NC(C)C(F)F.
What is the InChIKey of 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline?
The InChIKey is VOXKWFQFBPYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-5-3-7(11)8(12)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3.
What are the key properties of 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline?
4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline has a molecular weight of 282.10 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 102870136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).