4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane

C9H16F2O2 — CID 126555108

IUPAC4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C9H16F2O2/c1-5-6-7(8(2,3)4)13-9(10,11)12-6/h6-7H,5H2,1-4H3
InChIKeyHHPIYQQWNFJQAY-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.78
Rot. Bonds1

About 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane

4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane (PubChem CID 126555108) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane
PubChem CID126555108
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)(C)C
InChIInChI=1S/C9H16F2O2/c1-5-6-7(8(2,3)4)13-9(10,11)12-6/h6-7H,5H2,1-4H3
InChIKeyHHPIYQQWNFJQAY-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane?
The IUPAC name of 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane (CID 126555108) is 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane.
What is the SMILES notation for 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane?
The canonical SMILES for 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane is CCC1OC(F)(F)OC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane?
The InChIKey is HHPIYQQWNFJQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-5-6-7(8(2,3)4)13-9(10,11)12-6/h6-7H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane?
4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane has a molecular weight of 194.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-2,2-difluoro-1,3-dioxolane is sourced from PubChem (CID 126555108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).