5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene

C9H12F2O — CID 162560273

IUPAC5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1(C)OC(F)F
InChIInChI=1S/C9H12F2O/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-8H,1-2H3
InChIKeyKEPSUABZGVEWPM-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.75
Rot. Bonds2

About 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene

5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene (PubChem CID 162560273) has the molecular formula C9H12F2O and a molecular weight of 174.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene
PubChem CID162560273
Molecular FormulaC9H12F2O
Molecular Weight174.19 g/mol
Exact Mass174.09
IUPAC Name5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1(C)OC(F)F
InChIInChI=1S/C9H12F2O/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-8H,1-2H3
InChIKeyKEPSUABZGVEWPM-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene 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 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene (CID 162560273) is 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene is CC1C=CC=CC1(C)OC(F)F.
What is the InChIKey of 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene?
The InChIKey is KEPSUABZGVEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2O/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-8H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene?
5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene has a molecular weight of 174.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-5,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 162560273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).