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

C10H11BrF3N — CID 107591486

IUPAC5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)C(F)F
InChIInChI=1S/C10H11BrF3N/c1-5-3-8(12)7(11)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3
InChIKeyMHGUQJLMJDRRNY-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.96
Rot. Bonds3

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

5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline (PubChem CID 107591486) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
PubChem CID107591486
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)C(F)F
InChIInChI=1S/C10H11BrF3N/c1-5-3-8(12)7(11)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3
InChIKeyMHGUQJLMJDRRNY-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

4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
CID 102870136
3-(5-bromo-4-fluoro-2-methylanilino)-2-methylbutanoic acid
CID 107591918
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
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-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
5-bromo-4-fluoro-N-(2-methoxypropyl)-2-methylaniline
CID 107592069
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
2-bromo-N-(1,1-difluoropropan-2-yl)-4,6-difluoroaniline
CID 102868237
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline (CID 107591486) is 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NC(C)C(F)F.
What is the InChIKey of 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline?
The InChIKey is MHGUQJLMJDRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-5-3-8(12)7(11)4-9(5)15-6(2)10(13)14/h3-4,6,10,15H,1-2H3.
What are the key properties of 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline?
5-bromo-N-(1,1-difluoropropan-2-yl)-4-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 5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).