(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

C10H12BrClF3NO — CID 171261701

IUPAC(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(Br)c1.Cl
InChIInChI=1S/C10H11BrF3NO.ClH/c1-5-2-3-6(7(11)4-5)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyMGJIQTQTUDHVRB-VTLYIQCISA-N
MW334.56 g/mol
LogP3.10
Rot. Bonds2

About (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171261701) has the molecular formula C10H12BrClF3NO and a molecular weight of 334.56 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171261701
Molecular FormulaC10H12BrClF3NO
Molecular Weight334.56 g/mol
Exact Mass332.97
IUPAC Name(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(Br)c1.Cl
InChIInChI=1S/C10H11BrF3NO.ClH/c1-5-2-3-6(7(11)4-5)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyMGJIQTQTUDHVRB-VTLYIQCISA-N
XLogP3.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride with MolForge

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Related Compounds

(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171261698
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-5-methylphenol
CID 171264627
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171240370
(1R)-1-(2-bromo-4-methylphenyl)-2,2-difluoroethanamine
CID 130626598
(1S,2R)-1-amino-1-(2-bromo-4-methylphenyl)-3-methylbutan-2-ol
CID 131392240
(2S,3S)-3-amino-3-(2,5-dibromophenyl)-1,1,1-trifluoropropan-2-ol
CID 131347022
(3S)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-difluoropropan-1-ol
CID 131483084
(1S,2R)-2-amino-2-(2-bromo-4-methylphenyl)-1-cyclohexylethanol;hydrochloride
CID 171261695
bis(2-bromo-4-methylphenyl)methanamine
CID 139840771
(1R)-1-(2-bromo-4-methylphenyl)-2-fluoroethanamine;hydrochloride
CID 171221659
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)hexan-2-ol
CID 171261706

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171261701) is (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is Cc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(Br)c1.Cl.
What is the InChIKey of (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is MGJIQTQTUDHVRB-VTLYIQCISA-N. The full InChI is InChI=1S/C10H11BrF3NO.ClH/c1-5-2-3-6(7(11)4-5)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 334.56 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-(2-bromo-4-methylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171261701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).