(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine

C15H11F2NO — CID 102334579

IUPAC(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H11F2NO/c16-13-8-6-11(10-14(13)17)7-9-15(18-19)12-4-2-1-3-5-12/h1-10,19H/b9-7+,18-15-
InChIKeyAZNUNSHHMHTCEO-XTYJSQAGSA-N
MW259.25 g/mol
LogP3.86
Rot. Bonds3

About (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine (PubChem CID 102334579) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
PubChem CID102334579
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
SMILESO/N=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C15H11F2NO/c16-13-8-6-11(10-14(13)17)7-9-15(18-19)12-4-2-1-3-5-12/h1-10,19H/b9-7+,18-15-
InChIKeyAZNUNSHHMHTCEO-XTYJSQAGSA-N
XLogP3.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(E)-1,3-bis(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 70693742
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-chlorophenyl)prop-2-enylidene]hydroxylamine
CID 11121251
(NZ)-N-[(E)-3-(4-chlorophenyl)-1-pyridin-3-ylprop-2-enylidene]hydroxylamine
CID 138858059
3,4-difluorobenzaldehyde;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 163846327
3-(4-benzamido-3-fluorophenyl)prop-2-enoic acid
CID 76907482
(E)-3-(3,4-difluorophenyl)prop-2-enal;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 160530317
N-[(E)-1-(2,3-dihydro-1H-inden-5-yl)-3-phenylprop-2-enylidene]hydroxylamine
CID 173488881
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
methane;N-methyl-1,3-diphenylprop-2-en-1-imine
CID 159060936
(NE)-N-[2-(3,4-difluorophenyl)-2-phenylethylidene]hydroxylamine
CID 140984238

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine (CID 102334579) is (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine is O/N=C(/C=C/c1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine?
The InChIKey is AZNUNSHHMHTCEO-XTYJSQAGSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-13-8-6-11(10-14(13)17)7-9-15(18-19)12-4-2-1-3-5-12/h1-10,19H/b9-7+,18-15-.
What are the key properties of (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine has a molecular weight of 259.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 102334579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).