2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol

C9H10F3NO2 — CID 66514473

IUPAC2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
SMILESN[C@@H](CO)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)6-3-1-2-5(8(6)15)7(13)4-14/h1-3,7,14-15H,4,13H2/t7-/m0/s1
InChIKeyOBSPWUXKULJMHK-ZETCQYMHSA-N
MW221.18 g/mol
LogP1.40
Rot. Bonds2

About 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol

2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol (PubChem CID 66514473) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
PubChem CID66514473
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
SMILESN[C@@H](CO)c1cccc(C(F)(F)F)c1O
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)6-3-1-2-5(8(6)15)7(13)4-14/h1-3,7,14-15H,4,13H2/t7-/m0/s1
InChIKeyOBSPWUXKULJMHK-ZETCQYMHSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
3-amino-3-[2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84706912
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831
2-amino-2-[2-(2-fluoropropan-2-yl)phenyl]ethanol
CID 84667706
2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
CID 66514766
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanol
CID 77129940
(2S)-2-amino-2-[2,3-difluoro-4-(trifluoromethyl)phenyl]ethanol
CID 66515534
2-[(1S)-1-amino-2-hydroxyethyl]-6-fluoro-3-(trifluoromethyl)phenol;hydrochloride
CID 171259080

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol?
The IUPAC name of 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol (CID 66514473) is 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol is N[C@@H](CO)c1cccc(C(F)(F)F)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol?
The InChIKey is OBSPWUXKULJMHK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)6-3-1-2-5(8(6)15)7(13)4-14/h1-3,7,14-15H,4,13H2/t7-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol?
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol has a molecular weight of 221.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol is sourced from PubChem (CID 66514473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).