(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride

C10H12BrClF3N — CID 139263445

IUPAC(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCC[C@@](N)(c1ccc(Br)cc1)C(F)(F)F.Cl
InChIInChI=1S/C10H11BrF3N.ClH/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7;/h3-6H,2,15H2,1H3;1H/t9-;/m1./s1
InChIKeyIFHGQIQFZOFAJD-SBSPUUFOSA-N
MW318.56 g/mol
LogP4.00
Rot. Bonds2

About (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride

(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride (PubChem CID 139263445) has the molecular formula C10H12BrClF3N and a molecular weight of 318.56 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
PubChem CID139263445
Molecular FormulaC10H12BrClF3N
Molecular Weight318.56 g/mol
Exact Mass316.98
IUPAC Name(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
SMILESCC[C@@](N)(c1ccc(Br)cc1)C(F)(F)F.Cl
InChIInChI=1S/C10H11BrF3N.ClH/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7;/h3-6H,2,15H2,1H3;1H/t9-;/m1./s1
InChIKeyIFHGQIQFZOFAJD-SBSPUUFOSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride 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 (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The IUPAC name of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride (CID 139263445) is (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride is CC[C@@](N)(c1ccc(Br)cc1)C(F)(F)F.Cl.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
The InChIKey is IFHGQIQFZOFAJD-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11BrF3N.ClH/c1-2-9(15,10(12,13)14)7-3-5-8(11)6-4-7;/h3-6H,2,15H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride?
(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride has a molecular weight of 318.56 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride is sourced from PubChem (CID 139263445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).