(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride

C8H9ClF3NO — CID 171204906

IUPAC(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H8F3NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyGXFIVAZBCDXMTL-OGFXRTJISA-N
MW227.61 g/mol
LogP1.52
Rot. Bonds2

About (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride (PubChem CID 171204906) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
PubChem CID171204906
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1c(F)cc(F)cc1F
InChIInChI=1S/C8H8F3NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1
InChIKeyGXFIVAZBCDXMTL-OGFXRTJISA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol
CID 66513917
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1R)-3-methyl-1-(2,4,6-trifluorophenyl)but-3-en-1-amine;hydrochloride
CID 171204902
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride (CID 171204906) is (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1c(F)cc(F)cc1F.
What is the InChIKey of (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
The InChIKey is GXFIVAZBCDXMTL-OGFXRTJISA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-4-1-5(10)8(6(11)2-4)7(12)3-13;/h1-2,7,13H,3,12H2;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171204906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).