4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene

C9H13F3O — CID 162576438

IUPAC4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene
SMILESCOC1CC=C(C(F)(F)F)CC1C
InChIInChI=1S/C9H13F3O/c1-6-5-7(9(10,11)12)3-4-8(6)13-2/h3,6,8H,4-5H2,1-2H3
InChIKeyHUGZEHREIFWQLT-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.92
Rot. Bonds1

About 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene

4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene (PubChem CID 162576438) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene
PubChem CID162576438
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene
SMILESCOC1CC=C(C(F)(F)F)CC1C
InChIInChI=1S/C9H13F3O/c1-6-5-7(9(10,11)12)3-4-8(6)13-2/h3,6,8H,4-5H2,1-2H3
InChIKeyHUGZEHREIFWQLT-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene?
The IUPAC name of 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene (CID 162576438) is 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene.
What is the SMILES notation for 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene?
The canonical SMILES for 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene is COC1CC=C(C(F)(F)F)CC1C.
What is the InChIKey of 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene?
The InChIKey is HUGZEHREIFWQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6-5-7(9(10,11)12)3-4-8(6)13-2/h3,6,8H,4-5H2,1-2H3.
What are the key properties of 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene?
4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene 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 4-methoxy-5-methyl-1-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 162576438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).