(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

Name: (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁F₃O — CID 142987715

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

IUPAC(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

SMILESC=C/C=C\C(C)=C/COC(F)(F)F

InChIInChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-

InChIKeyVOPXVNAXEIOTAI-NADLECRISA-N

MW192.18 g/mol

LogP3.21

Rot. Bonds4

About (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 142987715) has the molecular formula C₉H₁₁F₃O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name	(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID	142987715
Molecular Formula	C₉H₁₁F₃O
Molecular Weight	192.18 g/mol
Exact Mass	192.08
IUPAC Name	(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
SMILES	C=C/C=C\C(C)=C/COC(F)(F)F
InChI	InChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKey	VOPXVNAXEIOTAI-NADLECRISA-N
XLogP	3.21
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.18
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The IUPAC name of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (CID 142987715) is (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.

What is the SMILES notation for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The canonical SMILES for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is C=C/C=C\C(C)=C/COC(F)(F)F.

What is the InChIKey of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The InChIKey is VOPXVNAXEIOTAI-NADLECRISA-N. The full InChI is InChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-.

What are the key properties of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 142987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142987715 — identifiers, structure, computed properties (public domain)

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