(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene

C9H12F2 — CID 129215925

IUPAC(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene
SMILESC/C=C\C=C(CC)/C(F)=C/F
InChIInChI=1S/C9H12F2/c1-3-5-6-8(4-2)9(11)7-10/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,9-7-
InChIKeyFSSQUPNVGDTYJQ-MNDZSGJESA-N
MW158.19 g/mol
LogP3.68
Rot. Bonds3

About (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene

(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene (PubChem CID 129215925) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene
PubChem CID129215925
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene
SMILESC/C=C\C=C(CC)/C(F)=C/F
InChIInChI=1S/C9H12F2/c1-3-5-6-8(4-2)9(11)7-10/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,9-7-
InChIKeyFSSQUPNVGDTYJQ-MNDZSGJESA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene (CID 129215925) is (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene is C/C=C\C=C(CC)/C(F)=C/F.
What is the InChIKey of (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene?
The InChIKey is FSSQUPNVGDTYJQ-MNDZSGJESA-N. The full InChI is InChI=1S/C9H12F2/c1-3-5-6-8(4-2)9(11)7-10/h3,5-7H,4H2,1-2H3/b5-3-,8-6-,9-7-.
What are the key properties of (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene?
(1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene has a molecular weight of 158.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-3-ethyl-1,2-difluorohepta-1,3,5-triene is sourced from PubChem (CID 129215925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).