4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

C9H6F12O2 — CID 89254563

IUPAC4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(F)F
InChIInChI=1S/C9H6F12O2/c1-3(10,11)5(14)6(15,4(2,12)13)23-7(22-5,8(16,17)18)9(19,20)21/h1-2H3
InChIKeyJKASYRCEWRXYLN-UHFFFAOYSA-N
MW374.12 g/mol
LogP4.50
Rot. Bonds2

About 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane

4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 89254563) has the molecular formula C9H6F12O2 and a molecular weight of 374.12 g/mol. Its IUPAC name is 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID89254563
Molecular FormulaC9H6F12O2
Molecular Weight374.12 g/mol
Exact Mass374.02
IUPAC Name4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(F)F
InChIInChI=1S/C9H6F12O2/c1-3(10,11)5(14)6(15,4(2,12)13)23-7(22-5,8(16,17)18)9(19,20)21/h1-2H3
InChIKeyJKASYRCEWRXYLN-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.12
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 89254563) is 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC(F)(F)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(F)F.
What is the InChIKey of 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is JKASYRCEWRXYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O2/c1-3(10,11)5(14)6(15,4(2,12)13)23-7(22-5,8(16,17)18)9(19,20)21/h1-2H3.
What are the key properties of 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 374.12 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 89254563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).