2-(aminooxymethyl)-6-(trifluoromethyl)phenol

C8H8F3NO2 — CID 117295390

IUPAC2-(aminooxymethyl)-6-(trifluoromethyl)phenol
SMILESNOCc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-3-1-2-5(4-14-12)7(6)13/h1-3,13H,4,12H2
InChIKeyUVACDELBBFTHAL-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.80
Rot. Bonds2

About 2-(aminooxymethyl)-6-(trifluoromethyl)phenol

2-(aminooxymethyl)-6-(trifluoromethyl)phenol (PubChem CID 117295390) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-(aminooxymethyl)-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(aminooxymethyl)-6-(trifluoromethyl)phenol
PubChem CID117295390
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-(aminooxymethyl)-6-(trifluoromethyl)phenol
SMILESNOCc1cccc(C(F)(F)F)c1O
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-3-1-2-5(4-14-12)7(6)13/h1-3,13H,4,12H2
InChIKeyUVACDELBBFTHAL-UHFFFAOYSA-N
XLogP1.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
O-[[7-(trifluoromethyl)-1H-indol-3-yl]methyl]hydroxylamine
CID 117197300
2-amino-6-(trifluoromethyl)phenol
CID 22272746
2-[3-(dimethylamino)propyl]-6-(trifluoromethyl)phenol
CID 170865710
4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
CID 117315125
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-(2-aminoethyl)-6-(1,1-difluoroethyl)phenol
CID 84670019
2-[(1R)-1-amino-2-hydroxyethyl]-6-(trifluoromethyl)phenol
CID 66514473
2-[(1S)-1,2-diaminoethyl]-6-(trifluoromethyl)phenol
CID 66517650
3-amino-3-[2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84706912

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(aminooxymethyl)-6-(trifluoromethyl)phenol (CID 117295390) is 2-(aminooxymethyl)-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(aminooxymethyl)-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(aminooxymethyl)-6-(trifluoromethyl)phenol is NOCc1cccc(C(F)(F)F)c1O.
What is the InChIKey of 2-(aminooxymethyl)-6-(trifluoromethyl)phenol?
The InChIKey is UVACDELBBFTHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-3-1-2-5(4-14-12)7(6)13/h1-3,13H,4,12H2.
What are the key properties of 2-(aminooxymethyl)-6-(trifluoromethyl)phenol?
2-(aminooxymethyl)-6-(trifluoromethyl)phenol has a molecular weight of 207.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117295390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).