(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine

C16H15FN2 — CID 163601417

IUPAC(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(/c1ccccc1)N(C)F)c1ccccc1
InChIInChI=1S/C16H15FN2/c1-19(17)16(14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-12,18H,1H3/b16-12-,18-15-
InChIKeyGXYZWLCCOLODRF-WWWBEYLTSA-N
MW254.31 g/mol
LogP3.91
Rot. Bonds4

About (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine

(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine (PubChem CID 163601417) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine
PubChem CID163601417
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine
SMILES[H]/N=C(/C=C(/c1ccccc1)N(C)F)c1ccccc1
InChIInChI=1S/C16H15FN2/c1-19(17)16(14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-12,18H,1H3/b16-12-,18-15-
InChIKeyGXYZWLCCOLODRF-WWWBEYLTSA-N
XLogP3.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine?
The IUPAC name of (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine (CID 163601417) is (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine?
The canonical SMILES for (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine is [H]/N=C(/C=C(/c1ccccc1)N(C)F)c1ccccc1.
What is the InChIKey of (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine?
The InChIKey is GXYZWLCCOLODRF-WWWBEYLTSA-N. The full InChI is InChI=1S/C16H15FN2/c1-19(17)16(14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-12,18H,1H3/b16-12-,18-15-.
What are the key properties of (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine?
(Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine has a molecular weight of 254.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-fluoro-3-imino-N-methyl-1,3-diphenylprop-1-en-1-amine is sourced from PubChem (CID 163601417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).