5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline

C10H11BrF3N — CID 115257817

IUPAC5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-7-3-4-8(11)5-9(7)15(2)6-10(12,13)14/h3-5H,6H2,1-2H3
InChIKeyFOGCXQTTWZQXSX-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.76
Rot. Bonds2

About 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline

5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257817) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257817
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCc1ccc(Br)cc1N(C)CC(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-7-3-4-8(11)5-9(7)15(2)6-10(12,13)14/h3-5H,6H2,1-2H3
InChIKeyFOGCXQTTWZQXSX-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257749
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 82971346
2-(aminomethyl)-4-bromo-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 114889509
3-(5-bromo-N,2-dimethylanilino)propane-1,2-diol
CID 115122058
3-(5-bromo-2-methoxy-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135209
1-[4-bromo-N-methyl-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 79390821
3-bromo-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 82798160
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939
5-[(5-bromo-N,2-dimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038923
2-(aminomethyl)-5-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008972
5-(5-bromo-N,2-dimethylanilino)-4-hydroxypentanoic acid
CID 115122644

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257817) is 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline is Cc1ccc(Br)cc1N(C)CC(F)(F)F.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is FOGCXQTTWZQXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-7-3-4-8(11)5-9(7)15(2)6-10(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 282.10 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).