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

C15H22F8O2 — CID 89072473

IUPAC4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)CC
InChIInChI=1S/C15H22F8O2/c1-7-9(3,4)11(16)12(17,10(5,6)8-2)25-13(24-11,14(18,19)20)15(21,22)23/h7-8H2,1-6H3
InChIKeyGMLZGQACVDSMRX-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.06
Rot. Bonds4

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

4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 89072473) has the molecular formula C15H22F8O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID89072473
Molecular FormulaC15H22F8O2
Molecular Weight386.32 g/mol
Exact Mass386.15
IUPAC Name4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
SMILESCCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)CC
InChIInChI=1S/C15H22F8O2/c1-7-9(3,4)11(16)12(17,10(5,6)8-2)25-13(24-11,14(18,19)20)15(21,22)23/h7-8H2,1-6H3
InChIKeyGMLZGQACVDSMRX-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

4,5-Difluoro-2-methyl-4,5-bis(2-methylbutan-2-yl)-2-(trifluoromethyl)-1,3-dioxolane
CID 68222742
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909
2-(1,1-Difluoro-2-methylpropyl)-2-(2-methylbutan-2-yl)-1,3-dioxolane
CID 71056986
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 88037601
4,5-Ditert-butyl-2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 88558595
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 88871601
4-Tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 88895495
4,5-Difluoro-4-(2-methylbutan-2-yl)-5-(2-methylpentan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89119657
4-Tert-butyl-4,5-difluoro-2,2-dimethyl-5-(2-methylbutan-2-yl)-1,3-dioxolane
CID 89467915
4,5-Bis(1,1-difluoro-2,2-dimethylbutyl)-2,2,4,5-tetrafluoro-1,3-dioxolane
CID 89652565
4,5-Bis(1,1-difluoro-2,2-dimethylbutyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89652569
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-4,4,5-trifluoro-5-(trifluoromethyl)-1,3-dioxolane
CID 89652577

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane (CID 89072473) is 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is CCC(C)(C)C1(F)OC(C(F)(F)F)(C(F)(F)F)OC1(F)C(C)(C)CC.
What is the InChIKey of 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is GMLZGQACVDSMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F8O2/c1-7-9(3,4)11(16)12(17,10(5,6)8-2)25-13(24-11,14(18,19)20)15(21,22)23/h7-8H2,1-6H3.
What are the key properties of 4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane?
4,5-difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 386.32 g/mol, XLogP of 6.06, 4 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-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 89072473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).