4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane

C8H14F2O2 — CID 149059320

IUPAC4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)C
InChIInChI=1S/C8H14F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h5-7H,4H2,1-3H3
InChIKeyQLLMINHLHZEEOV-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.39
Rot. Bonds2

About 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane

4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane (PubChem CID 149059320) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
PubChem CID149059320
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1C(C)C
InChIInChI=1S/C8H14F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h5-7H,4H2,1-3H3
InChIKeyQLLMINHLHZEEOV-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.39
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-propan-2-yl-1,3-dioxolane?
The IUPAC name of 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane (CID 149059320) is 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane is CCC1OC(F)(F)OC1C(C)C.
What is the InChIKey of 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
The InChIKey is QLLMINHLHZEEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-4-6-7(5(2)3)12-8(9,10)11-6/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane?
4-ethyl-2,2-difluoro-5-propan-2-yl-1,3-dioxolane has a molecular weight of 180.19 g/mol, XLogP of 2.39, 2 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-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 149059320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).