(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene

C10H16F3O3P — CID 11254278

IUPAC(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
SMILESC=C/C(=C(/C)P(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-5-9(10(11,12)13)8(4)17(14,15-6-2)16-7-3/h5H,1,6-7H2,2-4H3/b9-8+
InChIKeySZEXNKRNFXRBDI-CMDGGOBGSA-N
MW272.20 g/mol
LogP4.27
Rot. Bonds6

About (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene

(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene (PubChem CID 11254278) has the molecular formula C10H16F3O3P and a molecular weight of 272.20 g/mol. Its IUPAC name is (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

Compound Name(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
PubChem CID11254278
Molecular FormulaC10H16F3O3P
Molecular Weight272.20 g/mol
Exact Mass272.08
IUPAC Name(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene
SMILESC=C/C(=C(/C)P(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C10H16F3O3P/c1-5-9(10(11,12)13)8(4)17(14,15-6-2)16-7-3/h5H,1,6-7H2,2-4H3/b9-8+
InChIKeySZEXNKRNFXRBDI-CMDGGOBGSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
3-Diethoxyphosphoryl-4-methylpenta-1,3-diene
CID 11106827
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
(3E)-4-diethoxyphosphoryl-1,1-difluoro-2-methylbuta-1,3-diene
CID 10331842
[(1E,3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-dienyl]cyclopropane
CID 10828883
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096
(3E)-5-diethoxyphosphoryl-5,5-difluoro-2-methylpenta-1,3-diene
CID 11470799
5-Diethoxyphosphoryl-5,5-difluoro-2-methylpent-2-ene
CID 14268061
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
(3E)-5-diethoxyphosphoryl-5,5-difluoropenta-1,3-diene
CID 101129284
1-Diethoxyphosphoryl-4-ethyl-1,1-difluorohexa-2,3-diene
CID 102254198
1-Diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
CID 102254200

Frequently Asked Questions

What is the IUPAC name of (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene?
The IUPAC name of (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene (CID 11254278) is (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene.
What is the SMILES notation for (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene?
The canonical SMILES for (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene is C=C/C(=C(/C)P(=O)(OCC)OCC)C(F)(F)F.
What is the InChIKey of (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene?
The InChIKey is SZEXNKRNFXRBDI-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16F3O3P/c1-5-9(10(11,12)13)8(4)17(14,15-6-2)16-7-3/h5H,1,6-7H2,2-4H3/b9-8+.
What are the key properties of (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene?
(3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene has a molecular weight of 272.20 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-diethoxyphosphoryl-3-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 11254278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).