2-amino-2-(3-fluorophenyl)ethanol;hydrochloride

C8H11ClFNO — CID 54593657

IUPAC2-amino-2-(3-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1cccc(F)c1
InChIInChI=1S/C8H10FNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H
InChIKeyVJMNCZRJJLXISS-UHFFFAOYSA-N
MW191.63 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride

2-amino-2-(3-fluorophenyl)ethanol;hydrochloride (PubChem CID 54593657) has the molecular formula C8H11ClFNO and a molecular weight of 191.63 g/mol. Its IUPAC name is 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-fluorophenyl)ethanol;hydrochloride
PubChem CID54593657
Molecular FormulaC8H11ClFNO
Molecular Weight191.63 g/mol
Exact Mass191.05
IUPAC Name2-amino-2-(3-fluorophenyl)ethanol;hydrochloride
SMILESCl.NC(CO)c1cccc(F)c1
InChIInChI=1S/C8H10FNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H
InChIKeyVJMNCZRJJLXISS-UHFFFAOYSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.63
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride (CID 54593657) is 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride is Cl.NC(CO)c1cccc(F)c1.
What is the InChIKey of 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride?
The InChIKey is VJMNCZRJJLXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H.
What are the key properties of 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride?
2-amino-2-(3-fluorophenyl)ethanol;hydrochloride has a molecular weight of 191.63 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 54593657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).