1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine

C11H16F3N2O2PS — CID 764021

IUPAC1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine
SMILESCCOP(=S)(NNc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C11H16F3N2O2PS/c1-3-17-19(20,18-4-2)16-15-10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,20)
InChIKeyHYJGLRXNVJUWNS-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.92
Rot. Bonds7

About 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine

1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine (PubChem CID 764021) has the molecular formula C11H16F3N2O2PS and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine
PubChem CID764021
Molecular FormulaC11H16F3N2O2PS
Molecular Weight328.30 g/mol
Exact Mass328.06
IUPAC Name1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine
SMILESCCOP(=S)(NNc1cccc(C(F)(F)F)c1)OCC
InChIInChI=1S/C11H16F3N2O2PS/c1-3-17-19(20,18-4-2)16-15-10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,20)
InChIKeyHYJGLRXNVJUWNS-UHFFFAOYSA-N
XLogP3.92
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine (CID 764021) is 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine is CCOP(=S)(NNc1cccc(C(F)(F)F)c1)OCC.
What is the InChIKey of 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is HYJGLRXNVJUWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N2O2PS/c1-3-17-19(20,18-4-2)16-15-10-7-5-6-9(8-10)11(12,13)14/h5-8,15H,3-4H2,1-2H3,(H,16,20).
What are the key properties of 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine?
1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 328.30 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphinothioyl-2-[3-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 764021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).