4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane

C6H10F2O2 — CID 122705349

IUPAC4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C
InChIInChI=1S/C6H10F2O2/c1-3-5-4(2)9-6(7,8)10-5/h4-5H,3H2,1-2H3
InChIKeyRTGOBAGUKKYOIC-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.75
Rot. Bonds1

About 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane

4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane (PubChem CID 122705349) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane
PubChem CID122705349
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C
InChIInChI=1S/C6H10F2O2/c1-3-5-4(2)9-6(7,8)10-5/h4-5H,3H2,1-2H3
InChIKeyRTGOBAGUKKYOIC-UHFFFAOYSA-N
XLogP1.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane (CID 122705349) is 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane is CCC1OC(F)(F)OC1C.
What is the InChIKey of 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane?
The InChIKey is RTGOBAGUKKYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-3-5-4(2)9-6(7,8)10-5/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane?
4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane has a molecular weight of 152.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-5-methyl-1,3-dioxolane is sourced from PubChem (CID 122705349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).