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

C9H13F3O — CID 91433927

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 Name1-methoxy-3-methylidene-5-(trifluoromethyl)cyclohexane
PubChem CID91433927
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-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
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylprop-2-enyl)-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 143587510
1,1,1-Trifluoro-4-(1-methoxyethyl)-3-methylideneoctane
CID 169848543
(3R,5R)-3-(methoxymethyl)-2-methyl-5-(trifluoromethyl)hept-1-ene
CID 169848737
(3R,5S)-5-(difluoromethoxy)-3-(methoxymethyl)-2-methylhept-1-ene
CID 169849209
1,1-Difluoro-3-methoxy-5-prop-1-en-2-ylcyclohexane
CID 168250854
cis-(1S,3S)-1-butoxy-3-methyl-5-methylidenecyclohexane
CID 70344509
4-Methoxy-2-methyl-1-methylidenecyclohexane
CID 90727195
1-Methoxy-3-methyl-5-methylidenecyclohexane
CID 15140790

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).