2,2-difluoro-4-methyl-1,3-dioxolane

C4H6F2O2 — CID 11040697

IUPAC2,2-difluoro-4-methyl-1,3-dioxolane
SMILESCC1COC(F)(F)O1
InChIInChI=1S/C4H6F2O2/c1-3-2-7-4(5,6)8-3/h3H,2H2,1H3
InChIKeyYEAJXJPGGJXLLN-UHFFFAOYSA-N
MW124.09 g/mol
LogP0.97
Rot. Bonds

About 2,2-difluoro-4-methyl-1,3-dioxolane

2,2-difluoro-4-methyl-1,3-dioxolane (PubChem CID 11040697) has the molecular formula C4H6F2O2 and a molecular weight of 124.09 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-1,3-dioxolane
PubChem CID11040697
Molecular FormulaC4H6F2O2
Molecular Weight124.09 g/mol
Exact Mass124.03
IUPAC Name2,2-difluoro-4-methyl-1,3-dioxolane
SMILESCC1COC(F)(F)O1
InChIInChI=1S/C4H6F2O2/c1-3-2-7-4(5,6)8-3/h3H,2H2,1H3
InChIKeyYEAJXJPGGJXLLN-UHFFFAOYSA-N
XLogP0.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4-methyl-1,3-dioxolane (CID 11040697) is 2,2-difluoro-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4-methyl-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4-methyl-1,3-dioxolane is CC1COC(F)(F)O1.
What is the InChIKey of 2,2-difluoro-4-methyl-1,3-dioxolane?
The InChIKey is YEAJXJPGGJXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O2/c1-3-2-7-4(5,6)8-3/h3H,2H2,1H3.
What are the key properties of 2,2-difluoro-4-methyl-1,3-dioxolane?
2,2-difluoro-4-methyl-1,3-dioxolane has a molecular weight of 124.09 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-1,3-dioxolane is sourced from PubChem (CID 11040697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).