(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

C10H12Cl2F3NO — CID 171269007

IUPAC(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H11ClF3NO.ClH/c1-5(16)9(15)6-2-3-8(11)7(4-6)10(12,13)14;/h2-5,9,16H,15H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyPOVFZXNMNKCIGS-AXHNGXNJSA-N
MW290.11 g/mol
LogP3.16
Rot. Bonds2

About (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 171269007) has the molecular formula C10H12Cl2F3NO and a molecular weight of 290.11 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID171269007
Molecular FormulaC10H12Cl2F3NO
Molecular Weight290.11 g/mol
Exact Mass289.02
IUPAC Name(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C10H11ClF3NO.ClH/c1-5(16)9(15)6-2-3-8(11)7(4-6)10(12,13)14;/h2-5,9,16H,15H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyPOVFZXNMNKCIGS-AXHNGXNJSA-N
XLogP3.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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,2S)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171263350
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269027
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
(3S)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248946
(1R)-1-[4-chloro-3-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207635
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171265714
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171207674
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171265717

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 171269007) is (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1ccc(Cl)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is POVFZXNMNKCIGS-AXHNGXNJSA-N. The full InChI is InChI=1S/C10H11ClF3NO.ClH/c1-5(16)9(15)6-2-3-8(11)7(4-6)10(12,13)14;/h2-5,9,16H,15H2,1H3;1H/t5-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 290.11 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[4-chloro-3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171269007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).