1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene

C20H17F2N2OPS — CID 6905082

IUPAC1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17F2N2OPS/c21-20(22)25-19-14-8-7-9-16(19)15-23-24-26(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,20H,(H,24,27)/b23-15+
InChIKeyUQAIXFDFKLLCFW-HZHRSRAPSA-N
MW402.41 g/mol
LogP4.26
Rot. Bonds7

About 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene

1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene (PubChem CID 6905082) has the molecular formula C20H17F2N2OPS and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
PubChem CID6905082
Molecular FormulaC20H17F2N2OPS
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC Name1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17F2N2OPS/c21-20(22)25-19-14-8-7-9-16(19)15-23-24-26(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,20H,(H,24,27)/b23-15+
InChIKeyUQAIXFDFKLLCFW-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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Related Compounds

2-Methoxybenzaldehyde azine
CID 9575478
2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]phenol
CID 135519938
Bis-(2-methoxybenzal)hydrazin
CID 264083
(1Z,2E)-Bis[(2-methoxyphenyl)methylidene]hydrazine
CID 54606181
(E)-N-diphenylphosphoryl-1-(2-methoxyphenyl)methanimine
CID 11727396
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325857
2-[[2-(Difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2342685
1-(difluoromethoxy)-4-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 6901356
(E)-N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1,1-diphenylmethanimine
CID 6905098
(E)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-1-(4-methoxyphenyl)methanimine
CID 19368372
(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
CID 19368627
1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
CID 54219993

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene (CID 6905082) is 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is FC(F)Oc1ccccc1/C=N/NP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The InChIKey is UQAIXFDFKLLCFW-HZHRSRAPSA-N. The full InChI is InChI=1S/C20H17F2N2OPS/c21-20(22)25-19-14-8-7-9-16(19)15-23-24-26(27,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15,20H,(H,24,27)/b23-15+.
What are the key properties of 1-(difluoromethoxy)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
1-(difluoromethoxy)-2-[(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)-2-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]benzene is sourced from PubChem (CID 6905082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).