2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol

C9H10F3NO3 — CID 66514766

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
SMILESN[C@H](CO)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)16-7-3-1-2-5(8(7)15)6(13)4-14/h1-3,6,14-15H,4,13H2/t6-/m1/s1
InChIKeyKMTSQQCJICCHPQ-ZCFIWIBFSA-N
MW237.18 g/mol
LogP1.28
Rot. Bonds3

About 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol

2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol (PubChem CID 66514766) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
PubChem CID66514766
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol
SMILESN[C@H](CO)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C9H10F3NO3/c10-9(11,12)16-7-3-1-2-5(8(7)15)6(13)4-14/h1-3,6,14-15H,4,13H2/t6-/m1/s1
InChIKeyKMTSQQCJICCHPQ-ZCFIWIBFSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2-fluoroethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171258866
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
3-amino-3-[2-hydroxy-3-(trifluoromethoxy)phenyl]propanamide
CID 170876399
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-(trifluoromethoxy)phenol
CID 171255546
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
methyl (2S)-2-amino-2-[2-hydroxy-3-(trifluoromethoxy)phenyl]acetate;hydrochloride
CID 171258855
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255541
2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
CID 171255529
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol (CID 66514766) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol is N[C@H](CO)c1cccc(OC(F)(F)F)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol?
The InChIKey is KMTSQQCJICCHPQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F3NO3/c10-9(11,12)16-7-3-1-2-5(8(7)15)6(13)4-14/h1-3,6,14-15H,4,13H2/t6-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol?
2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol has a molecular weight of 237.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2-hydroxyethyl]-6-(trifluoromethoxy)phenol is sourced from PubChem (CID 66514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).