[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene

C16H24F2N3OPSi2 — CID 175961127

IUPAC[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene
SMILESC[Si](C)(NP(=O)(N[Si](C)(C)c1ccccc1)N(F)F)c1ccccc1
InChIInChI=1S/C16H24F2N3OPSi2/c1-24(2,15-11-7-5-8-12-15)19-23(22,21(17)18)20-25(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3,(H2,19,20,22)
InChIKeyRURNGUROTZBOBA-UHFFFAOYSA-N
MW399.53 g/mol
LogP3.57
Rot. Bonds7

About [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene

[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene (PubChem CID 175961127) has the molecular formula C16H24F2N3OPSi2 and a molecular weight of 399.53 g/mol. Its IUPAC name is [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene.

Molecular Properties

Compound Name[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene
PubChem CID175961127
Molecular FormulaC16H24F2N3OPSi2
Molecular Weight399.53 g/mol
Exact Mass399.12
IUPAC Name[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene
SMILESC[Si](C)(NP(=O)(N[Si](C)(C)c1ccccc1)N(F)F)c1ccccc1
InChIInChI=1S/C16H24F2N3OPSi2/c1-24(2,15-11-7-5-8-12-15)19-23(22,21(17)18)20-25(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3,(H2,19,20,22)
InChIKeyRURNGUROTZBOBA-UHFFFAOYSA-N
XLogP3.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene?
The IUPAC name of [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene (CID 175961127) is [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene.
What is the SMILES notation for [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene?
The canonical SMILES for [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene is C[Si](C)(NP(=O)(N[Si](C)(C)c1ccccc1)N(F)F)c1ccccc1.
What is the InChIKey of [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene?
The InChIKey is RURNGUROTZBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N3OPSi2/c1-24(2,15-11-7-5-8-12-15)19-23(22,21(17)18)20-25(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3,(H2,19,20,22).
What are the key properties of [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene?
[[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene has a molecular weight of 399.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(difluoroamino)-[[dimethyl(phenyl)silyl]amino]phosphoryl]amino]-dimethylsilyl]benzene is sourced from PubChem (CID 175961127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).