Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

Name: Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₇F₃O — CID 142198153

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

IUPACethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

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

InChIInChI=1S/C9H11F3O.C2H6/c1-3-5-8(2)6-4-7-13-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5-;

InChIKeyQDOMQMZRXFLTAT-DFLGPFLZSA-N

MW222.25 g/mol

LogP4.24

Rot. Bonds4

About Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 142198153) has the molecular formula C₁₁H₁₇F₃O and a molecular weight of 222.25 g/mol. Its IUPAC name is ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name	Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID	142198153
Molecular Formula	C₁₁H₁₇F₃O
Molecular Weight	222.25 g/mol
Exact Mass	222.12
IUPAC Name	ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
SMILES	C=C/C=C(C)\C=C/COC(F)(F)F.CC
InChI	InChI=1S/C9H11F3O.C2H6/c1-3-5-8(2)6-4-7-13-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5-;
InChIKey	QDOMQMZRXFLTAT-DFLGPFLZSA-N
XLogP	4.24
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	4
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.25
LogP ≤ 5	4.24
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 Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The IUPAC name of Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (CID 142198153) is ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.

What is the SMILES notation for Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The canonical SMILES for Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is C=C/C=C(C)\C=C/COC(F)(F)F.CC.

What is the InChIKey of Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

The InChIKey is QDOMQMZRXFLTAT-DFLGPFLZSA-N. The full InChI is InChI=1S/C9H11F3O.C2H6/c1-3-5-8(2)6-4-7-13-9(10,11)12;1-2/h3-6H,1,7H2,2H3;1-2H3/b6-4-,8-5-;.

What are the key properties of Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?

Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 222.25 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;(3Z,5Z)-4-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 142198153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 142198153 — identifiers, structure, computed properties (public domain)

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