2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane

C11H14F8O2 — CID 166648315

IUPAC2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)C(F)(F)C1(C(C)C)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C11H14F8O2/c1-5(2)7(12,13)8(6(3)4)20-9(14,10(15,16)17)11(18,19)21-8/h5-6H,1-4H3
InChIKeyBCJCWZBZZBHEEP-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.50
Rot. Bonds3

About 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane

2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane (PubChem CID 166648315) has the molecular formula C11H14F8O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane
PubChem CID166648315
Molecular FormulaC11H14F8O2
Molecular Weight330.22 g/mol
Exact Mass330.09
IUPAC Name2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane
SMILESCC(C)C(F)(F)C1(C(C)C)OC(F)(F)C(F)(C(F)(F)F)O1
InChIInChI=1S/C11H14F8O2/c1-5(2)7(12,13)8(6(3)4)20-9(14,10(15,16)17)11(18,19)21-8/h5-6H,1-4H3
InChIKeyBCJCWZBZZBHEEP-UHFFFAOYSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane with MolForge

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Related Compounds

4,5-Difluoro-4-methyl-5-propyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 20743579
2,2,4-Trifluoro-5-methyl-4-(1,1,2,2-tetrafluoropropyl)-5-(trifluoromethyl)-1,3-dioxolane
CID 23553810
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
(2S)-4,5-difluoro-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 57603791
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-2,4-dimethyl-5-(1,1,2,2-tetrafluoropropyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 76623523
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
4,5-Bis(1,1-difluoroethyl)-4,5-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CID 89254563

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane (CID 166648315) is 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane is CC(C)C(F)(F)C1(C(C)C)OC(F)(F)C(F)(C(F)(F)F)O1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is BCJCWZBZZBHEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F8O2/c1-5(2)7(12,13)8(6(3)4)20-9(14,10(15,16)17)11(18,19)21-8/h5-6H,1-4H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane?
2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 330.22 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)-4,4,5-trifluoro-2-propan-2-yl-5-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 166648315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).