5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol

C9H10F3NO2 — CID 66511017

IUPAC5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)C(F)(F)F)cc1O
InChIInChI=1S/C9H10F3NO2/c1-15-7-3-2-5(4-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3/t8-/m1/s1
InChIKeyUEFFPSMDTQSFES-MRVPVSSYSA-N
MW221.18 g/mol
LogP1.96
Rot. Bonds2

About 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol

5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol (PubChem CID 66511017) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
PubChem CID66511017
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)C(F)(F)F)cc1O
InChIInChI=1S/C9H10F3NO2/c1-15-7-3-2-5(4-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3/t8-/m1/s1
InChIKeyUEFFPSMDTQSFES-MRVPVSSYSA-N
XLogP1.96
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
5-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-methoxyphenol
CID 171160755
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate
CID 171244321
(1S)-2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanamine
CID 56971873
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171251053
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
5-(2-bromo-2,2-difluoro-1-hydroxyethyl)-2-methoxyphenol
CID 107140464
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 130612128
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol?
The IUPAC name of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol (CID 66511017) is 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol?
The canonical SMILES for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol is COc1ccc([C@@H](N)C(F)(F)F)cc1O.
What is the InChIKey of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol?
The InChIKey is UEFFPSMDTQSFES-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-15-7-3-2-5(4-6(7)14)8(13)9(10,11)12/h2-4,8,14H,13H2,1H3/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol?
5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol has a molecular weight of 221.18 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-methoxyphenol is sourced from PubChem (CID 66511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).