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

C11H12ClF6NO2 — CID 171263503

IUPAC(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H11F6NO2.ClH/c1-20-5-2-3-6(7(4-5)10(12,13)14)8(18)9(19)11(15,16)17;/h2-4,8-9,19H,18H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyDLSNPGYDEXHJJV-VTLYIQCISA-N
MW339.66 g/mol
LogP3.06
Rot. Bonds3

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

(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (PubChem CID 171263503) has the molecular formula C11H12ClF6NO2 and a molecular weight of 339.66 g/mol. Its IUPAC name is (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
PubChem CID171263503
Molecular FormulaC11H12ClF6NO2
Molecular Weight339.66 g/mol
Exact Mass339.05
IUPAC Name(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H11F6NO2.ClH/c1-20-5-2-3-6(7(4-5)10(12,13)14)8(18)9(19)11(15,16)17;/h2-4,8-9,19H,18H2,1H3;1H/t8-,9-;/m1./s1
InChIKeyDLSNPGYDEXHJJV-VTLYIQCISA-N
XLogP3.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride with MolForge

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Related Compounds

(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269180
(1S,2R)-1-amino-1-[4-methoxy-2-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171269178
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1R)-1-[4-methoxy-2-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171227707
ethyl (3R)-3-amino-2-fluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171242404
methyl (2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171227758
3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
ethyl (3S)-3-amino-2-fluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171249131
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
methyl 2,3-dihydroxy-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171865335

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride (CID 171263503) is (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is COc1ccc([C@@H](N)[C@@H](O)C(F)(F)F)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
The InChIKey is DLSNPGYDEXHJJV-VTLYIQCISA-N. The full InChI is InChI=1S/C11H11F6NO2.ClH/c1-20-5-2-3-6(7(4-5)10(12,13)14)8(18)9(19)11(15,16)17;/h2-4,8-9,19H,18H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride?
(2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride has a molecular weight of 339.66 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-1,1,1-trifluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171263503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).