2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane

C14H18F10O2 — CID 88871601

IUPAC2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)C(F)(F)C1(C(C)(C)C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C14H18F10O2/c1-7(2,3)9(15,16)12(8(4,5)6)25-10(17,13(19,20)21)11(18,26-12)14(22,23)24/h1-6H3
InChIKeyKTZQCUPKUUOGHL-UHFFFAOYSA-N
MW408.28 g/mol
LogP5.91
Rot. Bonds1

About 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane

2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane (PubChem CID 88871601) has the molecular formula C14H18F10O2 and a molecular weight of 408.28 g/mol. Its IUPAC name is 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
PubChem CID88871601
Molecular FormulaC14H18F10O2
Molecular Weight408.28 g/mol
Exact Mass408.11
IUPAC Name2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)(C)C(F)(F)C1(C(C)(C)C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C14H18F10O2/c1-7(2,3)9(15,16)12(8(4,5)6)25-10(17,13(19,20)21)11(18,26-12)14(22,23)24/h1-6H3
InChIKeyKTZQCUPKUUOGHL-UHFFFAOYSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.28
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trifluoro-5-methyl-4-propyl-5-(trifluoromethyl)-1,3-dioxolane
CID 23553811
2-(1,1-Difluoroethyl)-4,5-diethyl-4,5-difluoro-2-methyl-1,3-dioxolane
CID 57582876
4-Tert-butyl-5,5-difluoro-2,2,4-trimethyl-1,3-dioxolane
CID 58637702
2-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-1,3-dioxolane
CID 67950645
4,5-Ditert-butyl-4,5-difluoro-2,2-dimethyl-1,3-dioxolane
CID 68073063
4,5-Difluoro-2-methyl-4,5-bis(2-methylbutan-2-yl)-2-(trifluoromethyl)-1,3-dioxolane
CID 68222742
2-Tert-butyl-2-(1,1-difluoropropyl)-1,3-dioxolane
CID 71039348
2-(1,1-Difluoro-2,2-dimethylbutyl)-2-ethyl-1,3-dioxolane
CID 71056909
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
4-Tert-butyl-4,5-difluoro-5-(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 88895495
4,5-Difluoro-4,5-bis(2-methylbutan-2-yl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89072473

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane (CID 88871601) is 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane is CC(C)(C)C(F)(F)C1(C(C)(C)C)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane?
The InChIKey is KTZQCUPKUUOGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F10O2/c1-7(2,3)9(15,16)12(8(4,5)6)25-10(17,13(19,20)21)11(18,26-12)14(22,23)24/h1-6H3.
What are the key properties of 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane?
2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane has a molecular weight of 408.28 g/mol, XLogP of 5.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-4,5-difluoro-4,5-bis(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 88871601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).