(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine

C14H12FNO2 — CID 71595074

IUPAC(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-
InChIKeyOIIHQBPMILPFHX-PEZBUJJGSA-N
MW245.25 g/mol
LogP3.08
Rot. Bonds4

About (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine

(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine (PubChem CID 71595074) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
PubChem CID71595074
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H12FNO2/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-
InChIKeyOIIHQBPMILPFHX-PEZBUJJGSA-N
XLogP3.08
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(4-fluorophenyl)ethanone;1-(4-fluorophenyl)-2-phenoxyethanone;(NZ)-N-[1-(4-fluorophenyl)-2-phenoxyethylidene]hydroxylamine;methane;hydrochloride
CID 172947455
(NZ)-N-(1-phenyl-2-pyridin-3-yloxyethylidene)hydroxylamine
CID 87382498
4-[[4-[(2Z)-2-hydroxyimino-2-phenylethoxy]phenyl]methoxy]benzaldehyde
CID 88581373
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine
CID 142425606
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
(NZ)-N-(2-chloro-1-phenylethylidene)hydroxylamine
CID 139192653
copper;2-hydroxyimino-2-phenylethanol
CID 88811267
[4-[(2Z)-2-(aminomethoxyimino)-2-phenylethoxy]phenyl]methanol
CID 172954418
[[2-(3-fluorophenoxy)-1-phenylethylidene]amino]thiourea
CID 138961460

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine (CID 71595074) is (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine is O/N=C(/COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine?
The InChIKey is OIIHQBPMILPFHX-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-6-8-13(9-7-12)18-10-14(16-17)11-4-2-1-3-5-11/h1-9,17H,10H2/b16-14-.
What are the key properties of (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine?
(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine has a molecular weight of 245.25 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 71595074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).