(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C10H11BrClF4N — CID 171200922

IUPAC(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrF4N.ClH/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15;/h1-2,5,9H,3-4,16H2;1H/t9-;/m1./s1
InChIKeySTKMLGNOIPMSDY-SBSPUUFOSA-N
MW336.55 g/mol
LogP4.35
Rot. Bonds3

About (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171200922) has the molecular formula C10H11BrClF4N and a molecular weight of 336.55 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171200922
Molecular FormulaC10H11BrClF4N
Molecular Weight336.55 g/mol
Exact Mass334.97
IUPAC Name(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrF4N.ClH/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15;/h1-2,5,9H,3-4,16H2;1H/t9-;/m1./s1
InChIKeySTKMLGNOIPMSDY-SBSPUUFOSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-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

Related Compounds

(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171200921
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
5-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-fluorobenzonitrile
CID 171210977
(3S)-3-amino-3-(3-bromo-4-fluorophenyl)propanenitrile;hydrochloride
CID 171259873

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171200922) is (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is STKMLGNOIPMSDY-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H10BrF4N.ClH/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15;/h1-2,5,9H,3-4,16H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 336.55 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171200922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).