2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole

C9H8F2O2 — CID 143290146

IUPAC2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole
SMILESCC1=CCC2=C(C=C1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2-4H,5H2,1H3
InChIKeyAVOFLCLWHGZOOJ-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.70
Rot. Bonds

About 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole

2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole (PubChem CID 143290146) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole
PubChem CID143290146
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole
SMILESCC1=CCC2=C(C=C1)OC(F)(F)O2
InChIInChI=1S/C9H8F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2-4H,5H2,1H3
InChIKeyAVOFLCLWHGZOOJ-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole 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 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole?
The IUPAC name of 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole (CID 143290146) is 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole.
What is the SMILES notation for 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole?
The canonical SMILES for 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole is CC1=CCC2=C(C=C1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole?
The InChIKey is AVOFLCLWHGZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-6-2-4-7-8(5-3-6)13-9(10,11)12-7/h2-4H,5H2,1H3.
What are the key properties of 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole?
2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole has a molecular weight of 186.16 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-methyl-8H-cyclohepta[d][1,3]dioxole is sourced from PubChem (CID 143290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).