4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one

C6H8F2O3 — CID 150250693

IUPAC4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1(C)OC(=O)OC1(F)CF
InChIInChI=1S/C6H8F2O3/c1-5(2)6(8,3-7)11-4(9)10-5/h3H2,1-2H3
InChIKeyFZMAXACIKHOOFZ-UHFFFAOYSA-N
MW166.12 g/mol
LogP1.57
Rot. Bonds1

About 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one

4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one (PubChem CID 150250693) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
PubChem CID150250693
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one
SMILESCC1(C)OC(=O)OC1(F)CF
InChIInChI=1S/C6H8F2O3/c1-5(2)6(8,3-7)11-4(9)10-5/h3H2,1-2H3
InChIKeyFZMAXACIKHOOFZ-UHFFFAOYSA-N
XLogP1.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one (CID 150250693) is 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one is CC1(C)OC(=O)OC1(F)CF.
What is the InChIKey of 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one?
The InChIKey is FZMAXACIKHOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O3/c1-5(2)6(8,3-7)11-4(9)10-5/h3H2,1-2H3.
What are the key properties of 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one?
4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one has a molecular weight of 166.12 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(fluoromethyl)-5,5-dimethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 150250693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).