(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane

C11H18F2O2 — CID 145009671

IUPAC(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC.CCC
InChIInChI=1S/C8H10F2O2.C3H8/c1-4-12-6(3)8(10)7(9)5(2)11;1-3-2/h11H,2-4H2,1H3;3H2,1-2H3/b8-7-;
InChIKeyWRFFKGCIHHBBRD-CFYXSCKTSA-N
MW220.26 g/mol
LogP4.18
Rot. Bonds4

About (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane

(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane (PubChem CID 145009671) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane.

Molecular Properties

Compound Name(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane
PubChem CID145009671
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane
SMILESC=C(O)/C(F)=C(/F)C(=C)OCC.CCC
InChIInChI=1S/C8H10F2O2.C3H8/c1-4-12-6(3)8(10)7(9)5(2)11;1-3-2/h11H,2-4H2,1H3;3H2,1-2H3/b8-7-;
InChIKeyWRFFKGCIHHBBRD-CFYXSCKTSA-N
XLogP4.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane?
The IUPAC name of (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane (CID 145009671) is (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane.
What is the SMILES notation for (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane?
The canonical SMILES for (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane is C=C(O)/C(F)=C(/F)C(=C)OCC.CCC.
What is the InChIKey of (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane?
The InChIKey is WRFFKGCIHHBBRD-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H10F2O2.C3H8/c1-4-12-6(3)8(10)7(9)5(2)11;1-3-2/h11H,2-4H2,1H3;3H2,1-2H3/b8-7-;.
What are the key properties of (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane?
(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane has a molecular weight of 220.26 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol;propane is sourced from PubChem (CID 145009671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).