3,4-diethoxy-2-fluorohexa-2,4-diene

C10H17FO2 — CID 123318263

IUPAC3,4-diethoxy-2-fluorohexa-2,4-diene
SMILESCC=C(OCC)C(OCC)=C(C)F
InChIInChI=1S/C10H17FO2/c1-5-9(12-6-2)10(8(4)11)13-7-3/h5H,6-7H2,1-4H3
InChIKeyMZVYEVNGAGBOLZ-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.16
Rot. Bonds5

About 3,4-diethoxy-2-fluorohexa-2,4-diene

3,4-diethoxy-2-fluorohexa-2,4-diene (PubChem CID 123318263) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 3,4-diethoxy-2-fluorohexa-2,4-diene.

Molecular Properties

Compound Name3,4-diethoxy-2-fluorohexa-2,4-diene
PubChem CID123318263
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name3,4-diethoxy-2-fluorohexa-2,4-diene
SMILESCC=C(OCC)C(OCC)=C(C)F
InChIInChI=1S/C10H17FO2/c1-5-9(12-6-2)10(8(4)11)13-7-3/h5H,6-7H2,1-4H3
InChIKeyMZVYEVNGAGBOLZ-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.16
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

2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
CID 20649605
(3E,5Z)-7-fluoro-4-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318711
(3E,5E)-6-fluoro-3-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318749
(3Z,5E)-2-fluoro-5-(3-methoxypropoxy)hepta-1,3,5-triene
CID 89318773
(2E,4E,6Z)-2-fluoro-5-(3-methoxypropoxy)octa-2,4,6-triene
CID 89318777
(3E)-2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
CID 90061486
(3E)-2,4-bis(2,2-difluoropropoxy)penta-1,3-diene
CID 117891014
2-(2-Fluoroethoxy)-3-methoxypenta-1,3-diene
CID 123737328
(3Z)-2-ethoxy-3,4-difluoro-5-propoxyhexa-1,3,5-triene
CID 143286431
(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
CID 143331079
(3E)-2-fluoro-3-propoxypenta-1,3-diene
CID 143775702
(2E,4E,6E)-1-ethoxy-7-fluoro-4-methoxyocta-2,4,6-triene
CID 144185970

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-2-fluorohexa-2,4-diene?
The IUPAC name of 3,4-diethoxy-2-fluorohexa-2,4-diene (CID 123318263) is 3,4-diethoxy-2-fluorohexa-2,4-diene.
What is the SMILES notation for 3,4-diethoxy-2-fluorohexa-2,4-diene?
The canonical SMILES for 3,4-diethoxy-2-fluorohexa-2,4-diene is CC=C(OCC)C(OCC)=C(C)F.
What is the InChIKey of 3,4-diethoxy-2-fluorohexa-2,4-diene?
The InChIKey is MZVYEVNGAGBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-5-9(12-6-2)10(8(4)11)13-7-3/h5H,6-7H2,1-4H3.
What are the key properties of 3,4-diethoxy-2-fluorohexa-2,4-diene?
3,4-diethoxy-2-fluorohexa-2,4-diene has a molecular weight of 188.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-2-fluorohexa-2,4-diene is sourced from PubChem (CID 123318263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).