4,5-diethyl-2,2-difluoro-1,3-dioxolane

C7H12F2O2 — CID 163770260

IUPAC4,5-diethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1CC
InChIInChI=1S/C7H12F2O2/c1-3-5-6(4-2)11-7(8,9)10-5/h5-6H,3-4H2,1-2H3
InChIKeyMFUSBHNSMLBFMA-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.14
Rot. Bonds2

About 4,5-diethyl-2,2-difluoro-1,3-dioxolane

4,5-diethyl-2,2-difluoro-1,3-dioxolane (PubChem CID 163770260) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 4,5-diethyl-2,2-difluoro-1,3-dioxolane.

Molecular Properties

Compound Name4,5-diethyl-2,2-difluoro-1,3-dioxolane
PubChem CID163770260
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name4,5-diethyl-2,2-difluoro-1,3-dioxolane
SMILESCCC1OC(F)(F)OC1CC
InChIInChI=1S/C7H12F2O2/c1-3-5-6(4-2)11-7(8,9)10-5/h5-6H,3-4H2,1-2H3
InChIKeyMFUSBHNSMLBFMA-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4,5-tetraethyl-1,3-dioxolane
CID 89360618
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methylphosphane
CID 149474091
(3S,4S)-3,4-diethyldioxetane
CID 71414825
(4R,5R)-4-butyl-5-ethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 22213957
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
(2R,3S,5R)-2-bromo-2-(bromomethyl)-5-ethyl-3,4-dimethyloxolane
CID 58696769
(7R,14S)-14,15-diethyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane
CID 59070553
2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 118423800
(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
CID 130211644
2-ethyl-3-(trifluoromethyl)oxirane
CID 119096336
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2,2-difluoro-1,3-dioxolane?
The IUPAC name of 4,5-diethyl-2,2-difluoro-1,3-dioxolane (CID 163770260) is 4,5-diethyl-2,2-difluoro-1,3-dioxolane.
What is the SMILES notation for 4,5-diethyl-2,2-difluoro-1,3-dioxolane?
The canonical SMILES for 4,5-diethyl-2,2-difluoro-1,3-dioxolane is CCC1OC(F)(F)OC1CC.
What is the InChIKey of 4,5-diethyl-2,2-difluoro-1,3-dioxolane?
The InChIKey is MFUSBHNSMLBFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-3-5-6(4-2)11-7(8,9)10-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-diethyl-2,2-difluoro-1,3-dioxolane?
4,5-diethyl-2,2-difluoro-1,3-dioxolane has a molecular weight of 166.17 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2,2-difluoro-1,3-dioxolane is sourced from PubChem (CID 163770260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).