O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine

C13H11F3N2O2 — CID 145175023

IUPACO-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
SMILESNOc1ccc(COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-2-4-11(5-3-10)19-8-9-1-6-12(20-17)18-7-9/h1-7H,8,17H2
InChIKeyJIMDESCGHGZZTI-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.93
Rot. Bonds4

About O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine

O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine (PubChem CID 145175023) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine.

Molecular Properties

Compound NameO-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
PubChem CID145175023
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC NameO-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine
SMILESNOc1ccc(COc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10-2-4-11(5-3-10)19-8-9-1-6-12(20-17)18-7-9/h1-7H,8,17H2
InChIKeyJIMDESCGHGZZTI-UHFFFAOYSA-N
XLogP2.93
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-5-[[4-(trifluoromethyl)phenoxy]methyl]pyridine
CID 122631160
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
2-amino-5-[[4-(trifluoromethyl)phenoxy]methyl]phenol
CID 117220491
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
5-[(4-methylphenoxy)methyl]-2-(trifluoromethyl)pyridine
CID 59391394
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216218
4-[[4-(trifluoromethyl)phenoxy]methyl]-2-[4-(trifluoromethyl)phenyl]thiophene
CID 141057638

Frequently Asked Questions

What is the IUPAC name of O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine?
The IUPAC name of O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine (CID 145175023) is O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine.
What is the SMILES notation for O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine?
The canonical SMILES for O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine is NOc1ccc(COc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine?
The InChIKey is JIMDESCGHGZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10-2-4-11(5-3-10)19-8-9-1-6-12(20-17)18-7-9/h1-7H,8,17H2.
What are the key properties of O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine?
O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine has a molecular weight of 284.24 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[5-[[4-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]hydroxylamine is sourced from PubChem (CID 145175023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).