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

C20H17F2N2OPS — CID 2342638

IUPAC1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccc(C=NNP(=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)
InChIKeyVMZPKNPJWRGOBF-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.26
Rot. Bonds7

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

1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene (PubChem CID 2342638) has the molecular formula C20H17F2N2OPS and a molecular weight of 402.41 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene
PubChem CID2342638
Molecular FormulaC20H17F2N2OPS
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC Name1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene
SMILESFC(F)Oc1ccc(C=NNP(=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)
InChIKeyVMZPKNPJWRGOBF-UHFFFAOYSA-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

N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2325857
3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
CID 2350724
2-[[4-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 2341379
1-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 6186411
1-[(E)-(diphenylphosphinothioylhydrazinylidene)methyl]-2,4,5-trimethoxybenzene
CID 6901168
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-4-ylquinazolin-4-amine
CID 3446041
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 6901556
difluoromethoxybenzene;ethane
CID 142246454
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3964614

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene (CID 2342638) is 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene is FC(F)Oc1ccc(C=NNP(=S)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
The InChIKey is VMZPKNPJWRGOBF-UHFFFAOYSA-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).
What are the key properties of 1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene?
1-(difluoromethoxy)-4-[(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-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene is sourced from PubChem (CID 2342638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).