(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride

C8H9ClF3NO — CID 171225420

IUPAC(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO.ClH/c9-5-1-4(7(12)3-13)2-6(10)8(5)11;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyDNSYHLZRQMFQCY-FJXQXJEOSA-N
MW227.61 g/mol
LogP1.52
Rot. Bonds2

About (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride

(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride (PubChem CID 171225420) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
PubChem CID171225420
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
SMILESCl.N[C@@H](CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO.ClH/c9-5-1-4(7(12)3-13)2-6(10)8(5)11;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1
InChIKeyDNSYHLZRQMFQCY-FJXQXJEOSA-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

1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 67606911
(2R)-2-amino-2-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 66514185
(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(1S)-1-(3,4,5-trifluorophenyl)butane-1,4-diamine;hydrochloride
CID 171225390
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
4-(1-amino-2-hydroxyethyl)-2,6-difluorobenzoic acid
CID 117308789
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
(1S)-3-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine;hydrochloride
CID 171225399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride (CID 171225420) is (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride is Cl.N[C@@H](CO)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride?
The InChIKey is DNSYHLZRQMFQCY-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-5-1-4(7(12)3-13)2-6(10)8(5)11;/h1-2,7,13H,3,12H2;1H/t7-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(3,4,5-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-(3,4,5-trifluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171225420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).