2,2-difluoro-5H-cyclopenta[d][1,3]dioxole

C6H4F2O2 — CID 118487457

IUPAC2,2-difluoro-5H-cyclopenta[d][1,3]dioxole
SMILESFC1(F)OC2=CCC=C2O1
InChIInChI=1S/C6H4F2O2/c7-6(8)9-4-2-1-3-5(4)10-6/h2-3H,1H2
InChIKeyPFQWAOQZHDDCHK-UHFFFAOYSA-N
MW146.09 g/mol
LogP1.75
Rot. Bonds

About 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole

2,2-difluoro-5H-cyclopenta[d][1,3]dioxole (PubChem CID 118487457) has the molecular formula C6H4F2O2 and a molecular weight of 146.09 g/mol. Its IUPAC name is 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-difluoro-5H-cyclopenta[d][1,3]dioxole
PubChem CID118487457
Molecular FormulaC6H4F2O2
Molecular Weight146.09 g/mol
Exact Mass146.02
IUPAC Name2,2-difluoro-5H-cyclopenta[d][1,3]dioxole
SMILESFC1(F)OC2=CCC=C2O1
InChIInChI=1S/C6H4F2O2/c7-6(8)9-4-2-1-3-5(4)10-6/h2-3H,1H2
InChIKeyPFQWAOQZHDDCHK-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-5H-cyclopenta[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-5H-cyclopenta[d][1,3]dioxole?
The IUPAC name of 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole (CID 118487457) is 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole is FC1(F)OC2=CCC=C2O1.
What is the InChIKey of 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole?
The InChIKey is PFQWAOQZHDDCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O2/c7-6(8)9-4-2-1-3-5(4)10-6/h2-3H,1H2.
What are the key properties of 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole?
2,2-difluoro-5H-cyclopenta[d][1,3]dioxole has a molecular weight of 146.09 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5H-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 118487457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).