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

C7H6F8O2 — CID 20656003

IUPAC4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C7H6F8O2/c1-3(8)4(2,9)17-5(16-3,6(10,11)12)7(13,14)15/h1-2H3
InChIKeyXDMQHULRQKEFSY-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.23
Rot. Bonds

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

4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 20656003) has the molecular formula C7H6F8O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID20656003
Molecular FormulaC7H6F8O2
Molecular Weight274.11 g/mol
Exact Mass274.02
IUPAC Name4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F
InChIInChI=1S/C7H6F8O2/c1-3(8)4(2,9)17-5(16-3,6(10,11)12)7(13,14)15/h1-2H3
InChIKeyXDMQHULRQKEFSY-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Bis(trifluoromethyl)-1,3-dioxolane
CID 120560
1,3-Dioxolane, 4,4,5,5-tetrafluoro-2,2-bis(trifluoromethyl)-
CID 182427
4,5-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 9856261
4,4-Difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 21732402
2,2-Bis(difluoromethyl)-1,3-dioxolane
CID 21731045
2,2-Bis(difluoromethyl)-4,5-difluoro-1,3-dioxolane
CID 21731048
(4R,5R)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054756
(4R,5S)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 73054757
4,4,5-Trifluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846009
2,4,4,5,5-Pentafluoro-2-methyl-1,3-dioxolane
CID 12846017
2,4,4,5-Tetrafluoro-2-methyl-5-(trifluoromethyl)-1,3-dioxolane
CID 12846019
2-(1,1,2,2,2-Pentafluoroethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 14401465

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 20656003) is 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is CC1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(C)F.
What is the InChIKey of 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is XDMQHULRQKEFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O2/c1-3(8)4(2,9)17-5(16-3,6(10,11)12)7(13,14)15/h1-2H3.
What are the key properties of 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 274.11 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-4,5-dimethyl-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 20656003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).