2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole

C8H4F2N2O2 — CID 11041715

IUPAC2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFC1(F)Oc2cc3nc[nH]c3cc2O1
InChIInChI=1S/C8H4F2N2O2/c9-8(10)13-6-1-4-5(12-3-11-4)2-7(6)14-8/h1-3H,(H,11,12)
InChIKeyMUDNQZQFQQUJAD-UHFFFAOYSA-N
MW198.13 g/mol
LogP1.88
Rot. Bonds

About 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole

2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 11041715) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID11041715
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESFC1(F)Oc2cc3nc[nH]c3cc2O1
InChIInChI=1S/C8H4F2N2O2/c9-8(10)13-6-1-4-5(12-3-11-4)2-7(6)14-8/h1-3H,(H,11,12)
InChIKeyMUDNQZQFQQUJAD-UHFFFAOYSA-N
XLogP1.88
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole (CID 11041715) is 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole is FC1(F)Oc2cc3nc[nH]c3cc2O1.
What is the InChIKey of 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is MUDNQZQFQQUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-8(10)13-6-1-4-5(12-3-11-4)2-7(6)14-8/h1-3H,(H,11,12).
What are the key properties of 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole?
2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 198.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 11041715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).