(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine

C14H14FNO2 — CID 142425606

IUPAC(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESO/N=C(\COC1=CCCC=C1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c15-12-8-6-11(7-9-12)14(16-17)10-18-13-4-2-1-3-5-13/h2,4-9,17H,1,3,10H2/b16-14+
InChIKeyADONUJWODHARFP-JQIJEIRASA-N
MW247.27 g/mol
LogP3.25
Rot. Bonds4

About (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine

(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 142425606) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID142425606
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESO/N=C(\COC1=CCCC=C1)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2/c15-12-8-6-11(7-9-12)14(16-17)10-18-13-4-2-1-3-5-13/h2,4-9,17H,1,3,10H2/b16-14+
InChIKeyADONUJWODHARFP-JQIJEIRASA-N
XLogP3.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.25
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

(NE)-N-[2-(4-fluorophenoxy)-1-phenylethylidene]hydroxylamine
CID 71595074
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-naphthalen-2-yl-2-naphthalen-2-yloxyethylidene)hydroxylamine
CID 122179768
(NZ)-N-[1-(4-fluorophenyl)-2-phenylethylidene]hydroxylamine
CID 22277781
(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
CID 131865269
4-[C-[(4-fluoroanilino)methyl]-N-hydroxycarbonimidoyl]-N'-hydroxybenzenecarboximidamide
CID 177338651
ethyl (4E)-4-(4-fluorophenyl)-4-hydroxyiminobutanoate
CID 87950444
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)propylidene]hydroxylamine
CID 3632836
(NZ)-N-(1-phenyl-2-pyridin-3-yloxyethylidene)hydroxylamine
CID 87382498
(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
CID 141042076
1-(4-fluorophenyl)-N-methylpropan-1-imine
CID 142869606

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine (CID 142425606) is (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine is O/N=C(\COC1=CCCC=C1)c1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is ADONUJWODHARFP-JQIJEIRASA-N. The full InChI is InChI=1S/C14H14FNO2/c15-12-8-6-11(7-9-12)14(16-17)10-18-13-4-2-1-3-5-13/h2,4-9,17H,1,3,10H2/b16-14+.
What are the key properties of (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine?
(NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 247.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-cyclohexa-1,5-dien-1-yloxy-1-(4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 142425606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).