(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene

C10H16F2O — CID 143869168

IUPAC(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene
SMILESCC/C=C(F)\C(=C/C(C)F)OCC
InChIInChI=1S/C10H16F2O/c1-4-6-9(12)10(13-5-2)7-8(3)11/h6-8H,4-5H2,1-3H3/b9-6+,10-7+
InChIKeyJWEYZGHSTPDTNU-KZZDLZNXSA-N
MW190.23 g/mol
LogP3.53
Rot. Bonds5

About (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene

(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene (PubChem CID 143869168) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene.

Molecular Properties

Compound Name(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene
PubChem CID143869168
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene
SMILESCC/C=C(F)\C(=C/C(C)F)OCC
InChIInChI=1S/C10H16F2O/c1-4-6-9(12)10(13-5-2)7-8(3)11/h6-8H,4-5H2,1-3H3/b9-6+,10-7+
InChIKeyJWEYZGHSTPDTNU-KZZDLZNXSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3,5-Difluoro-2-methoxycyclohexa-1,3-diene
CID 68217336
2-Ethoxy-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 68261097
2-Ethoxy-1-fluorocyclohexa-1,3-diene
CID 89812511
3-(2,2,2-Trifluoroethoxy)hepta-2,4-diene
CID 91263829
1-Fluoro-6-methyl-5-propan-2-yloxyocta-1,3,5-triene
CID 123438716
4-Ethoxy-2-methyl-3-(trifluoromethyl)hepta-2,4-diene
CID 123721486
2-Ethoxy-1,5-difluoro-4-methoxypent-2-ene
CID 123798607
1,6-Difluoro-2-propan-2-yloxycyclohexa-1,3-diene
CID 129113003
2-Fluoro-3-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 129154753
(3Z,5E)-2-ethoxy-6-fluoroocta-1,3,5-triene
CID 132097407
(3Z,6E)-4,6-difluoro-3-[(E)-pent-3-en-2-yl]oxyocta-1,3,6-triene
CID 134448625
(3Z,5Z)-3-fluoro-4-[(E)-pent-3-en-2-yl]oxyhepta-1,3,5-triene
CID 134448842

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene?
The IUPAC name of (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene (CID 143869168) is (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene.
What is the SMILES notation for (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene?
The canonical SMILES for (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene is CC/C=C(F)\C(=C/C(C)F)OCC.
What is the InChIKey of (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene?
The InChIKey is JWEYZGHSTPDTNU-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H16F2O/c1-4-6-9(12)10(13-5-2)7-8(3)11/h6-8H,4-5H2,1-3H3/b9-6+,10-7+.
What are the key properties of (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene?
(3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene has a molecular weight of 190.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4-ethoxy-2,5-difluoroocta-3,5-diene is sourced from PubChem (CID 143869168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).