(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine

C15H11F2NO — CID 177390235

IUPAC(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(9-10-18-19)12-3-7-14(17)8-4-12/h1-10,19H/b18-10+
InChIKeyXOEWSAVNJVWCEG-VCHYOVAHSA-N
MW259.25 g/mol
LogP3.86
Rot. Bonds3

About (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine

(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine (PubChem CID 177390235) has the molecular formula C15H11F2NO and a molecular weight of 259.25 g/mol. Its IUPAC name is (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
PubChem CID177390235
Molecular FormulaC15H11F2NO
Molecular Weight259.25 g/mol
Exact Mass259.08
IUPAC Name(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
SMILESO/N=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(9-10-18-19)12-3-7-14(17)8-4-12/h1-10,19H/b18-10+
InChIKeyXOEWSAVNJVWCEG-VCHYOVAHSA-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

N-[3,3-bis(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
CID 142605464
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
(NE)-N-[1-(4-fluorophenyl)pent-4-enylidene]hydroxylamine
CID 131865269
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 141177290
(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
CID 139263654
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
[1-(4-fluorophenyl)ethylideneamino]-trimethylazanium
CID 3943522
1-[2,2-bis(4-fluorophenyl)ethenyl]-4-tert-butylbenzene
CID 71055530
4,4-bis(4-fluorophenyl)but-3-enyl-propan-2-ylazanium chloride
CID 110168456

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine (CID 177390235) is (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine is O/N=C/C=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is XOEWSAVNJVWCEG-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-13-5-1-11(2-6-13)15(9-10-18-19)12-3-7-14(17)8-4-12/h1-10,19H/b18-10+.
What are the key properties of (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[3,3-bis(4-fluorophenyl)prop-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 (NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 177390235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).