[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane

C12H18F3O2P — CID 142934156

IUPAC[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane
SMILES[H]/P=C(C(=C\OCC)/C(=C\CC)OCC)\C(F)(F)F
InChIInChI=1S/C12H18F3O2P/c1-4-7-10(17-6-3)9(8-16-5-2)11(18)12(13,14)15/h7-8,18H,4-6H2,1-3H3/b9-8-,10-7+
InChIKeyUTZJRYIGNYQOLL-ABGYPUNPSA-N
MW282.24 g/mol
LogP4.11
Rot. Bonds7

About [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane

[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane (PubChem CID 142934156) has the molecular formula C12H18F3O2P and a molecular weight of 282.24 g/mol. Its IUPAC name is [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane.

Molecular Properties

Compound Name[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane
PubChem CID142934156
Molecular FormulaC12H18F3O2P
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane
SMILES[H]/P=C(C(=C\OCC)/C(=C\CC)OCC)\C(F)(F)F
InChIInChI=1S/C12H18F3O2P/c1-4-7-10(17-6-3)9(8-16-5-2)11(18)12(13,14)15/h7-8,18H,4-6H2,1-3H3/b9-8-,10-7+
InChIKeyUTZJRYIGNYQOLL-ABGYPUNPSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane?
The IUPAC name of [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane (CID 142934156) is [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane.
What is the SMILES notation for [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane?
The canonical SMILES for [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane is [H]/P=C(C(=C\OCC)/C(=C\CC)OCC)\C(F)(F)F.
What is the InChIKey of [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane?
The InChIKey is UTZJRYIGNYQOLL-ABGYPUNPSA-N. The full InChI is InChI=1S/C12H18F3O2P/c1-4-7-10(17-6-3)9(8-16-5-2)11(18)12(13,14)15/h7-8,18H,4-6H2,1-3H3/b9-8-,10-7+.
What are the key properties of [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane?
[(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane has a molecular weight of 282.24 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3Z)-4-ethoxy-3-(ethoxymethylidene)-1,1,1-trifluorohept-4-en-2-ylidene]phosphane is sourced from PubChem (CID 142934156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).