(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

C10H12Cl2F3NO — CID 171207674

IUPAC(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO.ClH/c11-8-2-1-6(9(15)3-4-16)5-7(8)10(12,13)14;/h1-2,5,9,16H,3-4,15H2;1H/t9-;/m1./s1
InChIKeyOYUFAAFXFZOFPE-SBSPUUFOSA-N
MW290.11 g/mol
LogP3.16
Rot. Bonds3

About (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride

(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (PubChem CID 171207674) has the molecular formula C10H12Cl2F3NO and a molecular weight of 290.11 g/mol. Its IUPAC name is (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
PubChem CID171207674
Molecular FormulaC10H12Cl2F3NO
Molecular Weight290.11 g/mol
Exact Mass289.02
IUPAC Name(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO.ClH/c11-8-2-1-6(9(15)3-4-16)5-7(8)10(12,13)14;/h1-2,5,9,16H,3-4,15H2;1H/t9-;/m1./s1
InChIKeyOYUFAAFXFZOFPE-SBSPUUFOSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine
CID 171207650
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171227223
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propanenitrile;hydrochloride
CID 171260024
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171269007
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride (CID 171207674) is (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is Cl.N[C@H](CCO)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
The InChIKey is OYUFAAFXFZOFPE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11ClF3NO.ClH/c11-8-2-1-6(9(15)3-4-16)5-7(8)10(12,13)14;/h1-2,5,9,16H,3-4,15H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride?
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride has a molecular weight of 290.11 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride is sourced from PubChem (CID 171207674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).