2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H11ClF3NO — CID 53399133

IUPAC2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13;/h1-4,8,14H,5,13H2;1H
InChIKeyCMCQVOYNDWPMNO-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride

2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 53399133) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID53399133
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NCC(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13;/h1-4,8,14H,5,13H2;1H
InChIKeyCMCQVOYNDWPMNO-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-[2-(trifluoromethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 53399133) is 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.NCC(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is CMCQVOYNDWPMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13;/h1-4,8,14H,5,13H2;1H.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride?
2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride has a molecular weight of 241.64 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 53399133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).