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

C5H8F2O2 — CID 18923912

IUPAC2,2-difluoro-4,5-dimethyl-1,3-dioxolane
SMILESCC1OC(F)(F)OC1C
InChIInChI=1S/C5H8F2O2/c1-3-4(2)9-5(6,7)8-3/h3-4H,1-2H3
InChIKeyAZHSJTVKYDYWEH-UHFFFAOYSA-N
MW138.11 g/mol
LogP1.36
Rot. Bonds

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

2,2-difluoro-4,5-dimethyl-1,3-dioxolane (PubChem CID 18923912) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is 2,2-difluoro-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-difluoro-4,5-dimethyl-1,3-dioxolane
PubChem CID18923912
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name2,2-difluoro-4,5-dimethyl-1,3-dioxolane
SMILESCC1OC(F)(F)OC1C
InChIInChI=1S/C5H8F2O2/c1-3-4(2)9-5(6,7)8-3/h3-4H,1-2H3
InChIKeyAZHSJTVKYDYWEH-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-4-propyl-1,3-dioxolane
CID 18923918
4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 23236997
(S)-4-(Difluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 90478036
2,2-Dimethoxy-4-(trifluoromethyl)-1,3-dioxolane
CID 168719911
(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
2,2-Difluoro-4-(methoxymethyl)-1,3-dioxolane
CID 119096835
(4S)-4-[(1R)-1,2-difluoroethyl]-2,2-dimethyl-1,3-dioxolane
CID 178342653
2,2-Dimethyl-4-(2,2,2-trifluoro-1-methoxyethyl)-1,3-dioxolane
CID 73826838
2,2-Dimethyl-4-(pentafluoroethyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 91740244
4,5-Bis(fluoromethyl)-2,2-dimethyl-1,3-dioxolane
CID 5195380
2,2-Difluoro-4-methyl-1,3-dioxolane
CID 11040697

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of 2,2-difluoro-4,5-dimethyl-1,3-dioxolane (CID 18923912) is 2,2-difluoro-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for 2,2-difluoro-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for 2,2-difluoro-4,5-dimethyl-1,3-dioxolane is CC1OC(F)(F)OC1C.
What is the InChIKey of 2,2-difluoro-4,5-dimethyl-1,3-dioxolane?
The InChIKey is AZHSJTVKYDYWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c1-3-4(2)9-5(6,7)8-3/h3-4H,1-2H3.
What are the key properties of 2,2-difluoro-4,5-dimethyl-1,3-dioxolane?
2,2-difluoro-4,5-dimethyl-1,3-dioxolane has a molecular weight of 138.11 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 18923912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).