(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene

C11H16F2O — CID 89381334

IUPAC(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
SMILESC=C/C=C(\C=C/COC(C)(F)F)CC
InChIInChI=1S/C11H16F2O/c1-4-7-10(5-2)8-6-9-14-11(3,12)13/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-
InChIKeyLURZJZLFUAQATL-YOYBIJIWSA-N
MW202.24 g/mol
LogP3.69
Rot. Bonds6

About (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene

(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene (PubChem CID 89381334) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
PubChem CID89381334
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
SMILESC=C/C=C(\C=C/COC(C)(F)F)CC
InChIInChI=1S/C11H16F2O/c1-4-7-10(5-2)8-6-9-14-11(3,12)13/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-
InChIKeyLURZJZLFUAQATL-YOYBIJIWSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene (CID 89381334) is (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene is C=C/C=C(\C=C/COC(C)(F)F)CC.
What is the InChIKey of (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene?
The InChIKey is LURZJZLFUAQATL-YOYBIJIWSA-N. The full InChI is InChI=1S/C11H16F2O/c1-4-7-10(5-2)8-6-9-14-11(3,12)13/h4,6-8H,1,5,9H2,2-3H3/b8-6-,10-7-.
What are the key properties of (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene?
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene has a molecular weight of 202.24 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene is sourced from PubChem (CID 89381334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).