4,7-diethyl-2,2-difluoro-1,3-benzodioxole

C11H12F2O2 — CID 70835878

IUPAC4,7-diethyl-2,2-difluoro-1,3-benzodioxole
SMILESCCc1ccc(CC)c2c1OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-3-7-5-6-8(4-2)10-9(7)14-11(12,13)15-10/h5-6H,3-4H2,1-2H3
InChIKeyUVIMDUAJXMBSQX-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.13
Rot. Bonds2

About 4,7-diethyl-2,2-difluoro-1,3-benzodioxole

4,7-diethyl-2,2-difluoro-1,3-benzodioxole (PubChem CID 70835878) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4,7-diethyl-2,2-difluoro-1,3-benzodioxole.

Molecular Properties

Compound Name4,7-diethyl-2,2-difluoro-1,3-benzodioxole
PubChem CID70835878
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name4,7-diethyl-2,2-difluoro-1,3-benzodioxole
SMILESCCc1ccc(CC)c2c1OC(F)(F)O2
InChIInChI=1S/C11H12F2O2/c1-3-7-5-6-8(4-2)10-9(7)14-11(12,13)15-10/h5-6H,3-4H2,1-2H3
InChIKeyUVIMDUAJXMBSQX-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-diethyl-2,2-difluoro-1,3-benzodioxole?
The IUPAC name of 4,7-diethyl-2,2-difluoro-1,3-benzodioxole (CID 70835878) is 4,7-diethyl-2,2-difluoro-1,3-benzodioxole.
What is the SMILES notation for 4,7-diethyl-2,2-difluoro-1,3-benzodioxole?
The canonical SMILES for 4,7-diethyl-2,2-difluoro-1,3-benzodioxole is CCc1ccc(CC)c2c1OC(F)(F)O2.
What is the InChIKey of 4,7-diethyl-2,2-difluoro-1,3-benzodioxole?
The InChIKey is UVIMDUAJXMBSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-3-7-5-6-8(4-2)10-9(7)14-11(12,13)15-10/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,7-diethyl-2,2-difluoro-1,3-benzodioxole?
4,7-diethyl-2,2-difluoro-1,3-benzodioxole has a molecular weight of 214.21 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyl-2,2-difluoro-1,3-benzodioxole is sourced from PubChem (CID 70835878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).