(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride

C10H12ClF4NO — CID 171267758

IUPAC(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1c(F)cccc1[C@H](N)[C@H](O)C(F)(F)F.Cl
InChIInChI=1S/C10H11F4NO.ClH/c1-5-6(3-2-4-7(5)11)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m0./s1
InChIKeyFWWBGGTYHNACPH-OZZZDHQUSA-N
MW273.66 g/mol
LogP2.48
Rot. Bonds2

About (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride

(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride (PubChem CID 171267758) has the molecular formula C10H12ClF4NO and a molecular weight of 273.66 g/mol. Its IUPAC name is (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
PubChem CID171267758
Molecular FormulaC10H12ClF4NO
Molecular Weight273.66 g/mol
Exact Mass273.05
IUPAC Name(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1c(F)cccc1[C@H](N)[C@H](O)C(F)(F)F.Cl
InChIInChI=1S/C10H11F4NO.ClH/c1-5-6(3-2-4-7(5)11)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m0./s1
InChIKeyFWWBGGTYHNACPH-OZZZDHQUSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.66
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]phenol;hydrochloride
CID 171161014
(2R,3R)-3-amino-3-(2,6-dimethylphenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171262249
(1S)-1-(3-fluoro-2-methylphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171223401
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247677
2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride (CID 171267758) is (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride is Cc1c(F)cccc1[C@H](N)[C@H](O)C(F)(F)F.Cl.
What is the InChIKey of (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride?
The InChIKey is FWWBGGTYHNACPH-OZZZDHQUSA-N. The full InChI is InChI=1S/C10H11F4NO.ClH/c1-5-6(3-2-4-7(5)11)8(15)9(16)10(12,13)14;/h2-4,8-9,16H,15H2,1H3;1H/t8-,9-;/m0./s1.
What are the key properties of (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride?
(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride has a molecular weight of 273.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171267758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).