1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene

C20H17F2N2OPS — CID 6901356

IUPAC1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17F2N2OPS/c21-20(22)25-17-13-11-16(12-14-17)15-23-24-26(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,20H,(H,24,27)/b23-15+
InChIKeyVMZPKNPJWRGOBF-HZHRSRAPSA-N
MW402.41 g/mol
LogP4.26
Rot. Bonds7

About 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene

1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene (PubChem CID 6901356) has the molecular formula C20H17F2N2OPS and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
PubChem CID6901356
Molecular FormulaC20H17F2N2OPS
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC Name1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H17F2N2OPS/c21-20(22)25-17-13-11-16(12-14-17)15-23-24-26(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,20H,(H,24,27)/b23-15+
InChIKeyVMZPKNPJWRGOBF-HZHRSRAPSA-N
XLogP4.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene (CID 6901356) is 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is FC(F)Oc1ccc(/C=N/NP(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The InChIKey is VMZPKNPJWRGOBF-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H17F2N2OPS/c21-20(22)25-17-13-11-16(12-14-17)15-23-24-26(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,20H,(H,24,27)/b23-15+.
What are the key properties of 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene has a molecular weight of 402.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is sourced from PubChem (CID 6901356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).