(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride

C9H11ClF3NO — CID 74889970

IUPAC(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1
InChIKeyZGPPQPPTLTYYKV-DDWIOCJRSA-N
MW241.64 g/mol
LogP2.12
Rot. Bonds2

About (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride

(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride (PubChem CID 74889970) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
PubChem CID74889970
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name(2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1
InChIKeyZGPPQPPTLTYYKV-DDWIOCJRSA-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 (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride (CID 74889970) is (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride is Cl.N[C@H](CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
The InChIKey is ZGPPQPPTLTYYKV-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H10F3NO.ClH/c10-9(11,12)7-3-1-2-6(4-7)8(13)5-14;/h1-4,8,14H,5,13H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride?
(2S)-2-amino-2-[3-(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 (2S)-2-amino-2-[3-(trifluoromethyl)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 74889970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).