(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene

Name: (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₅F₃ — CID 143612069

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene

SMILESC=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1

InChIInChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;2*1-2/h2-5H,1,6H2;1-5H;2*1-2H3/b4-3-,7-5+;;;

InChIKeyGOFKZPXQABXEGL-KITKHWLNSA-N

MW286.38 g/mol

LogP6.43

Rot. Bonds3

About (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene

(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene (PubChem CID 143612069) has the molecular formula C₁₇H₂₅F₃ and a molecular weight of 286.38 g/mol. Its IUPAC name is (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene.

Molecular Properties

Compound Name	(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
PubChem CID	143612069
Molecular Formula	C₁₇H₂₅F₃
Molecular Weight	286.38 g/mol
Exact Mass	286.19
IUPAC Name	(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene
SMILES	C=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1
InChI	InChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;21-2/h2-5H,1,6H2;1-5H;21-2H3/b4-3-,7-5+;;;
InChIKey	GOFKZPXQABXEGL-KITKHWLNSA-N
XLogP	6.43
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	286.38
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?

The IUPAC name of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene (CID 143612069) is (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene.

What is the SMILES notation for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?

The canonical SMILES for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene is C=C/C=C\C=C(\F)CF.CC.CC.Fc1ccccc1.

What is the InChIKey of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?

The InChIKey is GOFKZPXQABXEGL-KITKHWLNSA-N. The full InChI is InChI=1S/C7H8F2.C6H5F.2C2H6/c1-2-3-4-5-7(9)6-8;7-6-4-2-1-3-5-6;2*1-2/h2-5H,1,6H2;1-5H;2*1-2H3/b4-3-,7-5+;;;.

What are the key properties of (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene?

(3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene has a molecular weight of 286.38 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5E)-6,7-difluorohepta-1,3,5-triene;ethane;fluorobenzene is sourced from PubChem (CID 143612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 143612069 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.