(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene

C8H10F2O — CID 88957250

IUPAC(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)OC(F)F
InChIInChI=1S/C8H10F2O/c1-3-4-5-6-7(2)11-8(9)10/h3-6,8H,2H2,1H3/b4-3-,6-5-
InChIKeyJPIDRJZIXUAITF-OUPQRBNQSA-N
MW160.16 g/mol
LogP2.87
Rot. Bonds4

About (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene

(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene (PubChem CID 88957250) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene
PubChem CID88957250
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene
SMILESC=C(/C=C\C=C/C)OC(F)F
InChIInChI=1S/C8H10F2O/c1-3-4-5-6-7(2)11-8(9)10/h3-6,8H,2H2,1H3/b4-3-,6-5-
InChIKeyJPIDRJZIXUAITF-OUPQRBNQSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.87
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'}

Analyze (3Z,5Z)-2-(difluoromethoxy)hepta-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)-2-(difluoromethoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene (CID 88957250) is (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene is C=C(/C=C\C=C/C)OC(F)F.
What is the InChIKey of (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene?
The InChIKey is JPIDRJZIXUAITF-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H10F2O/c1-3-4-5-6-7(2)11-8(9)10/h3-6,8H,2H2,1H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene?
(3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene has a molecular weight of 160.16 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-(difluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 88957250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).