1-(trifluoromethoxy)cyclohexene

C7H9F3O — CID 143617931

IUPAC1-(trifluoromethoxy)cyclohexene
SMILESFC(F)(F)OC1=CCCCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyKZTTYJLYCPPTIF-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.98
Rot. Bonds1

About 1-(trifluoromethoxy)cyclohexene

1-(trifluoromethoxy)cyclohexene (PubChem CID 143617931) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 1-(trifluoromethoxy)cyclohexene.

Molecular Properties

Compound Name1-(trifluoromethoxy)cyclohexene
PubChem CID143617931
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name1-(trifluoromethoxy)cyclohexene
SMILESFC(F)(F)OC1=CCCCC1
InChIInChI=1S/C7H9F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyKZTTYJLYCPPTIF-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(trifluoromethoxy)cyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)cyclohexene?
The IUPAC name of 1-(trifluoromethoxy)cyclohexene (CID 143617931) is 1-(trifluoromethoxy)cyclohexene.
What is the SMILES notation for 1-(trifluoromethoxy)cyclohexene?
The canonical SMILES for 1-(trifluoromethoxy)cyclohexene is FC(F)(F)OC1=CCCCC1.
What is the InChIKey of 1-(trifluoromethoxy)cyclohexene?
The InChIKey is KZTTYJLYCPPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of 1-(trifluoromethoxy)cyclohexene?
1-(trifluoromethoxy)cyclohexene has a molecular weight of 166.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)cyclohexene is sourced from PubChem (CID 143617931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).