2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H11ClF3NO — CID 69163306

IUPAC2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H
InChIKeyLKRCVAWTGZSLFR-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride

2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 69163306) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID69163306
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.NC(CO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H
InChIKeyLKRCVAWTGZSLFR-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 69163306) is 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.NC(CO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is LKRCVAWTGZSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-6(2-4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H.
What are the key properties of 2-amino-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride?
2-amino-2-[4-(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-2-[4-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 69163306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).