N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine

C7H4F5NO2 — CID 154104993

IUPACN-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine
SMILESONOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5NO2/c8-3-2(1-15-13-14)4(9)6(11)7(12)5(3)10/h13-14H,1H2
InChIKeyLEVSHKKOVHKPIL-UHFFFAOYSA-N
MW229.10 g/mol
LogP1.79
Rot. Bonds3

About N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine

N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine (PubChem CID 154104993) has the molecular formula C7H4F5NO2 and a molecular weight of 229.10 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine
PubChem CID154104993
Molecular FormulaC7H4F5NO2
Molecular Weight229.10 g/mol
Exact Mass229.02
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine
SMILESONOCc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H4F5NO2/c8-3-2(1-15-13-14)4(9)6(11)7(12)5(3)10/h13-14H,1H2
InChIKeyLEVSHKKOVHKPIL-UHFFFAOYSA-N
XLogP1.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.10
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine (CID 154104993) is N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine is ONOCc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine?
The InChIKey is LEVSHKKOVHKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F5NO2/c8-3-2(1-15-13-14)4(9)6(11)7(12)5(3)10/h13-14H,1H2.
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine?
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine has a molecular weight of 229.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentafluorophenyl)methoxy]hydroxylamine is sourced from PubChem (CID 154104993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).