(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride

C8H10ClF2NO — CID 171204156

IUPAC(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(F)c1F
InChIInChI=1S/C8H9F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7,12H,4,11H2;1H/t7-;/m1./s1
InChIKeyXREOCOTWOUFHDJ-OGFXRTJISA-N
MW209.62 g/mol
LogP1.38
Rot. Bonds2

About (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride (PubChem CID 171204156) has the molecular formula C8H10ClF2NO and a molecular weight of 209.62 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
PubChem CID171204156
Molecular FormulaC8H10ClF2NO
Molecular Weight209.62 g/mol
Exact Mass209.04
IUPAC Name(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(F)c1F
InChIInChI=1S/C8H9F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7,12H,4,11H2;1H/t7-;/m1./s1
InChIKeyXREOCOTWOUFHDJ-OGFXRTJISA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.62
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(2,3-difluorophenyl)propan-1-ol;hydrochloride
CID 171223730
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(2R)-2-amino-2-(2-bromo-3-fluorophenyl)ethanol;hydrochloride
CID 171224063
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368
2-amino-2-(2-amino-3-fluorophenyl)ethanol
CID 55283031
4-amino-4-(2,3-difluorophenyl)butan-1-ol
CID 170171841
(1S)-1-(2,3-difluorophenyl)propane-1,3-diamine
CID 130986814
(1S)-1-(2,3-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313008
2-amino-2-(3-fluoro-2-iodophenyl)ethanol
CID 130043805
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
2-amino-2-[2-(difluoromethyl)-3-fluorophenyl]ethanol
CID 84672964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride (CID 171204156) is (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1cccc(F)c1F.
What is the InChIKey of (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride?
The InChIKey is XREOCOTWOUFHDJ-OGFXRTJISA-N. The full InChI is InChI=1S/C8H9F2NO.ClH/c9-6-3-1-2-5(8(6)10)7(11)4-12;/h1-3,7,12H,4,11H2;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride has a molecular weight of 209.62 g/mol, XLogP of 1.38, 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-(2,3-difluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171204156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).