(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride

C10H12ClF4NO2 — CID 171271754

IUPAC(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(OC(F)(F)F)ccc1F.Cl
InChIInChI=1S/C10H11F4NO2.ClH/c1-5(16)9(15)7-4-6(2-3-8(7)11)17-10(12,13)14;/h2-5,9,16H,15H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyIPBBWJWHPMCAJC-AXHNGXNJSA-N
MW289.66 g/mol
LogP2.53
Rot. Bonds3

About (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride (PubChem CID 171271754) has the molecular formula C10H12ClF4NO2 and a molecular weight of 289.66 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
PubChem CID171271754
Molecular FormulaC10H12ClF4NO2
Molecular Weight289.66 g/mol
Exact Mass289.05
IUPAC Name(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1cc(OC(F)(F)F)ccc1F.Cl
InChIInChI=1S/C10H11F4NO2.ClH/c1-5(16)9(15)7-4-6(2-3-8(7)11)17-10(12,13)14;/h2-5,9,16H,15H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyIPBBWJWHPMCAJC-AXHNGXNJSA-N
XLogP2.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.66
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-amino-1,1,1-trifluoro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171266107
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251779
(1R,2S)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-phenylpropan-2-ol;hydrochloride
CID 171266117
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1R)-2,2,3,3,3-pentafluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171312744
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]-4-methylpentan-1-amine
CID 171216263
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
3-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 170828896

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride (CID 171271754) is (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1cc(OC(F)(F)F)ccc1F.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride?
The InChIKey is IPBBWJWHPMCAJC-AXHNGXNJSA-N. The full InChI is InChI=1S/C10H11F4NO2.ClH/c1-5(16)9(15)7-4-6(2-3-8(7)11)17-10(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-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride has a molecular weight of 289.66 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171271754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).