4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol

C10H12F3NO3 — CID 117380355

IUPAC4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(CCON)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H12F3NO3/c1-16-8-5-6(2-3-17-14)4-7(9(8)15)10(11,12)13/h4-5,15H,2-3,14H2,1H3
InChIKeyNXTOBJYICBCMMP-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.85
Rot. Bonds4

About 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol

4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol (PubChem CID 117380355) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
PubChem CID117380355
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(CCON)cc(C(F)(F)F)c1O
InChIInChI=1S/C10H12F3NO3/c1-16-8-5-6(2-3-17-14)4-7(9(8)15)10(11,12)13/h4-5,15H,2-3,14H2,1H3
InChIKeyNXTOBJYICBCMMP-UHFFFAOYSA-N
XLogP1.85
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
CID 117333808
O-[2-(3-fluoro-5-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288478
O-[2-(4-fluoro-3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288456
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
2-tert-butyl-6-methoxy-4-(2,2,2-trifluoroethyl)phenol
CID 132552220
O-[2-(4-ethyl-3-fluoro-5-methoxyphenyl)ethyl]hydroxylamine
CID 117304123
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
O-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 117380356
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]propan-2-amine
CID 117412105

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol (CID 117380355) is 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol is COc1cc(CCON)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is NXTOBJYICBCMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c1-16-8-5-6(2-3-17-14)4-7(9(8)15)10(11,12)13/h4-5,15H,2-3,14H2,1H3.
What are the key properties of 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol?
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 251.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 117380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).