4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene

C9H11F3O — CID 15808738

IUPAC4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene
SMILESC=C1CC=CCC1OCC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h2-3,8H,1,4-6H2
InChIKeyFQYRLVSAEDQZKA-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.84
Rot. Bonds2

About 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene

4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene (PubChem CID 15808738) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene.

Molecular Properties

Compound Name4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene
PubChem CID15808738
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene
SMILESC=C1CC=CCC1OCC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h2-3,8H,1,4-6H2
InChIKeyFQYRLVSAEDQZKA-UHFFFAOYSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylidene-5-(2,2,2-trifluoroethoxy)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 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene?
The IUPAC name of 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene (CID 15808738) is 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene.
What is the SMILES notation for 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene?
The canonical SMILES for 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene is C=C1CC=CCC1OCC(F)(F)F.
What is the InChIKey of 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene?
The InChIKey is FQYRLVSAEDQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-7-4-2-3-5-8(7)13-6-9(10,11)12/h2-3,8H,1,4-6H2.
What are the key properties of 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene?
4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene has a molecular weight of 192.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-(2,2,2-trifluoroethoxy)cyclohexene is sourced from PubChem (CID 15808738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).