(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride

C8H9ClF3NO — CID 171225380

IUPAC(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO.ClH/c9-5-2-1-4(6(12)3-13)7(10)8(5)11;/h1-2,6,13H,3,12H2;1H/t6-;/m0./s1
InChIKeyIHBZSPUTXOLWOF-RGMNGODLSA-N
MW227.61 g/mol
LogP1.52
Rot. Bonds2

About (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride

(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride (PubChem CID 171225380) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
PubChem CID171225380
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1ccc(F)c(F)c1F
InChIInChI=1S/C8H8F3NO.ClH/c9-5-2-1-4(6(12)3-13)7(10)8(5)11;/h1-2,6,13H,3,12H2;1H/t6-;/m0./s1
InChIKeyIHBZSPUTXOLWOF-RGMNGODLSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
(1S)-3-fluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171225366
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(2S)-2-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanol
CID 66515534
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
(2R)-2-amino-2-(3-amino-2-fluorophenyl)ethanol
CID 130642368
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride (CID 171225380) is (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1ccc(F)c(F)c1F.
What is the InChIKey of (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride?
The InChIKey is IHBZSPUTXOLWOF-RGMNGODLSA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-5-2-1-4(6(12)3-13)7(10)8(5)11;/h1-2,6,13H,3,12H2;1H/t6-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(2,3,4-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 (2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171225380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).