(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene

C11H16F2O2 — CID 143286431

IUPAC(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)OCCC
InChIInChI=1S/C11H16F2O2/c1-5-7-15-9(4)11(13)10(12)8(3)14-6-2/h3-7H2,1-2H3/b11-10-
InChIKeyUVJZXKABUUXGEO-KHPPLWFESA-N
MW218.24 g/mol
LogP3.63
Rot. Bonds7

About (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene

(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene (PubChem CID 143286431) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene
PubChem CID143286431
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene
SMILESC=C(OCC)/C(F)=C(/F)C(=C)OCCC
InChIInChI=1S/C11H16F2O2/c1-5-7-15-9(4)11(13)10(12)8(3)14-6-2/h3-7H2,1-2H3/b11-10-
InChIKeyUVJZXKABUUXGEO-KHPPLWFESA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
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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Related Compounds

(3E)-2,4-bis(2,2-difluoropropoxy)penta-1,3-diene
CID 117891014
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-ol
CID 134477251
(3Z)-2-ethoxy-3,4-difluorohexa-1,3,5-triene
CID 143243673
(3Z)-2-ethoxy-5-(trifluoromethoxy)hexa-1,3,5-triene
CID 143486689
(2E,4E,6E)-1-ethoxy-7-fluoro-4-methoxyocta-2,4,6-triene
CID 144185970
(3Z)-3,4-difluoro-2,5-dimethoxyhexa-1,3,5-triene
CID 144328690
(4E)-3-ethoxy-6,6,6-trifluorohexa-1,2,4-triene
CID 145685006
(3Z,5Z)-5-ethoxy-3,4-difluorohepta-1,3,5-triene
CID 163461424
(3Z)-2-ethoxy-3,4-difluoro-5-methoxyhexa-1,3,5-triene
CID 143286467
(1Z,3E,5E)-5-ethoxy-1,2,3-trifluorohepta-1,3,5-triene
CID 143308187
(3E)-5-butoxy-3-fluoro-2-methoxyhexa-1,3,5-triene
CID 144328671

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene?
The IUPAC name of (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene (CID 143286431) is (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene.
What is the SMILES notation for (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene?
The canonical SMILES for (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene is C=C(OCC)/C(F)=C(/F)C(=C)OCCC.
What is the InChIKey of (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene?
The InChIKey is UVJZXKABUUXGEO-KHPPLWFESA-N. The full InChI is InChI=1S/C11H16F2O2/c1-5-7-15-9(4)11(13)10(12)8(3)14-6-2/h3-7H2,1-2H3/b11-10-.
What are the key properties of (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene?
(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene has a molecular weight of 218.24 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene is sourced from PubChem (CID 143286431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).