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

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Related Compounds

1-(5-bromo-3-pyridinyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312277
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 25146473
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
1-(4-bromophenyl)-3-methoxypentan-2-amine
CID 116715134
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
2-[(4-bromophenyl)methyl]-4,4,4-trifluorobutanoic acid
CID 79418227
2-(4-bromophenyl)-1-fluoroethanol
CID 163366125
1-(4-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62606824
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
2-[(4-bromophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530373

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).