1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane

Name: 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₃F₃O — CID 91433927

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

IUPAC1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane

SMILESC=C1CC(OC)CC(C(F)(F)F)C1

InChIInChI=1S/C9H13F3O/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h7-8H,1,3-5H2,2H3

InChIKeyCCXAJSBHRLELNL-UHFFFAOYSA-N

MW194.20 g/mol

LogP2.92

Rot. Bonds1

About 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane

1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane (PubChem CID 91433927) has the molecular formula C₉H₁₃F₃O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name	1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
PubChem CID	91433927
Molecular Formula	C₉H₁₃F₃O
Molecular Weight	194.20 g/mol
Exact Mass	194.09
IUPAC Name	1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
SMILES	C=C1CC(OC)CC(C(F)(F)F)C1
InChI	InChI=1S/C9H13F3O/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h7-8H,1,3-5H2,2H3
InChIKey	CCXAJSBHRLELNL-UHFFFAOYSA-N
XLogP	2.92
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	194.20
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane?

The IUPAC name of 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane (CID 91433927) is 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane.

What is the SMILES notation for 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane?

The canonical SMILES for 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane is C=C1CC(OC)CC(C(F)(F)F)C1.

What is the InChIKey of 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane?

The InChIKey is CCXAJSBHRLELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6-3-7(9(10,11)12)5-8(4-6)13-2/h7-8H,1,3-5H2,2H3.

What are the key properties of 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane?

1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane has a molecular weight of 194.20 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 91433927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 91433927 — identifiers, structure, computed properties (public domain)

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