2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol

C9H10F3NO2 — CID 61054424

IUPAC2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESNC(CO)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(13)5-14/h1-4,7,14H,5,13H2
InChIKeyJWTHBJZFPGRTLL-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.58
Rot. Bonds3

About 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol

2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 61054424) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID61054424
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
SMILESNC(CO)c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(13)5-14/h1-4,7,14H,5,13H2
InChIKeyJWTHBJZFPGRTLL-UHFFFAOYSA-N
XLogP1.58
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
CID 66514766
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 171260551
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
(3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260087
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
methyl (3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171249783
methyl (3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243050
2-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62789714
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol (CID 61054424) is 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol is NC(CO)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is JWTHBJZFPGRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(13)5-14/h1-4,7,14H,5,13H2.
What are the key properties of 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol?
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 221.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 61054424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).