2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole

C10H8F2O2 — CID 91368707

IUPAC2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole
SMILESC=C=CC1=CC2OC(F)(F)OC2C=C1
InChIInChI=1S/C10H8F2O2/c1-2-3-7-4-5-8-9(6-7)14-10(11,12)13-8/h3-6,8-9H,1H2
InChIKeyGQWYPRBOZAQSBS-UHFFFAOYSA-N
MW198.17 g/mol
LogP2.16
Rot. Bonds1

About 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole

2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole (PubChem CID 91368707) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole.

Molecular Properties

Compound Name2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole
PubChem CID91368707
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole
SMILESC=C=CC1=CC2OC(F)(F)OC2C=C1
InChIInChI=1S/C10H8F2O2/c1-2-3-7-4-5-8-9(6-7)14-10(11,12)13-8/h3-6,8-9H,1H2
InChIKeyGQWYPRBOZAQSBS-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole 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-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole?
The IUPAC name of 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole (CID 91368707) is 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole.
What is the SMILES notation for 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole?
The canonical SMILES for 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole is C=C=CC1=CC2OC(F)(F)OC2C=C1.
What is the InChIKey of 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole?
The InChIKey is GQWYPRBOZAQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-2-3-7-4-5-8-9(6-7)14-10(11,12)13-8/h3-6,8-9H,1H2.
What are the key properties of 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole?
2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole has a molecular weight of 198.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-propa-1,2-dienyl-3a,7a-dihydro-1,3-benzodioxole is sourced from PubChem (CID 91368707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).