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

C7H12F2O2 — CID 20700674

IUPAC4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(C)(F)C(C)(F)O1
InChIInChI=1S/C7H12F2O2/c1-5(2)10-6(3,8)7(4,9)11-5/h1-4H3
InChIKeyJHAIZXOJGFGYLS-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.14
Rot. Bonds

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

4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane (PubChem CID 20700674) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane
PubChem CID20700674
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane
SMILESCC1(C)OC(C)(F)C(C)(F)O1
InChIInChI=1S/C7H12F2O2/c1-5(2)10-6(3,8)7(4,9)11-5/h1-4H3
InChIKeyJHAIZXOJGFGYLS-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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

4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
(4R)-4-(difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 10953703
(4R,5R)-4,5-bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 7021497
(4S)-4-[(1R)-1,2-difluoroethyl]-2,2-dimethyl-1,3-dioxolane
CID 178342653
4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 5195380
2,4,4,5-Tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846019
4-(Fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 15570843
(4R)-4-(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 15570845
2,4-Dimethyl-2-(trifluoromethyl)-1,3-dioxolane
CID 18737308
2-Fluoro-2-(1-fluoroethyl)-1,3-dioxolane
CID 18923915
2-Fluoro-2-(1-fluoropropyl)-1,3-dioxolane
CID 18923919

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane (CID 20700674) is 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane is CC1(C)OC(C)(F)C(C)(F)O1.
What is the InChIKey of 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane?
The InChIKey is JHAIZXOJGFGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-5(2)10-6(3,8)7(4,9)11-5/h1-4H3.
What are the key properties of 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane?
4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane has a molecular weight of 166.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,2,4,5-tetramethyl-1,3-dioxolane is sourced from PubChem (CID 20700674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).