2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene

C10H16F3O3P — CID 102260717

IUPAC2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(=C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-5-15-17(14,16-6-2)9(7-8(3)4)10(11,12)13/h5-6H2,1-4H3
InChIKeyOEYRIUDPMCMWGY-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.26
Rot. Bonds5

About 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene

2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene (PubChem CID 102260717) has the molecular formula C10H16F3O3P and a molecular weight of 272.20 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene.

Molecular Properties

Compound Name2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
PubChem CID102260717
Molecular FormulaC10H16F3O3P
Molecular Weight272.20 g/mol
Exact Mass272.08
IUPAC Name2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene
SMILESCCOP(=O)(OCC)C(=C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-5-15-17(14,16-6-2)9(7-8(3)4)10(11,12)13/h5-6H2,1-4H3
InChIKeyOEYRIUDPMCMWGY-UHFFFAOYSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene?
The IUPAC name of 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene (CID 102260717) is 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene.
What is the SMILES notation for 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene?
The canonical SMILES for 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene is CCOP(=O)(OCC)C(=C=C(C)C)C(F)(F)F.
What is the InChIKey of 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene?
The InChIKey is OEYRIUDPMCMWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3O3P/c1-5-15-17(14,16-6-2)9(7-8(3)4)10(11,12)13/h5-6H2,1-4H3.
What are the key properties of 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene?
2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene has a molecular weight of 272.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-1,1,1-trifluoro-4-methylpenta-2,3-diene is sourced from PubChem (CID 102260717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).