1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C11H10BrF6N — CID 103311680

IUPAC1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1ccc(Br)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10BrF6N/c12-7-3-1-6(2-4-7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9H,5,19H2
InChIKeyQMHGJCADKLHBJA-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.06
Rot. Bonds3

About 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311680) has the molecular formula C11H10BrF6N and a molecular weight of 350.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103311680
Molecular FormulaC11H10BrF6N
Molecular Weight350.10 g/mol
Exact Mass348.99
IUPAC Name1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1ccc(Br)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10BrF6N/c12-7-3-1-6(2-4-7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9H,5,19H2
InChIKeyQMHGJCADKLHBJA-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103311680) is 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is NC(Cc1ccc(Br)cc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is QMHGJCADKLHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF6N/c12-7-3-1-6(2-4-7)5-8(19)9(10(13,14)15)11(16,17)18/h1-4,8-9H,5,19H2.
What are the key properties of 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 350.10 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).