2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane

C11H12F10O — CID 88896174

IUPAC2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)C1(F)C(F)(F)F
InChIInChI=1S/C11H12F10O/c1-4-6(2,3)9(16,17)10(18)7(13,11(19,20)21)5(12)8(14,15)22-10/h5H,4H2,1-3H3
InChIKeyCRMMHDAZHGPYPZ-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.96
Rot. Bonds3

About 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane

2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane (PubChem CID 88896174) has the molecular formula C11H12F10O and a molecular weight of 350.20 g/mol. Its IUPAC name is 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane
PubChem CID88896174
Molecular FormulaC11H12F10O
Molecular Weight350.20 g/mol
Exact Mass350.07
IUPAC Name2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)C1(F)C(F)(F)F
InChIInChI=1S/C11H12F10O/c1-4-6(2,3)9(16,17)10(18)7(13,11(19,20)21)5(12)8(14,15)22-10/h5H,4H2,1-3H3
InChIKeyCRMMHDAZHGPYPZ-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane?
The IUPAC name of 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane (CID 88896174) is 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane?
The canonical SMILES for 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane is CCC(C)(C)C(F)(F)C1(F)OC(F)(F)C(F)C1(F)C(F)(F)F.
What is the InChIKey of 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane?
The InChIKey is CRMMHDAZHGPYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F10O/c1-4-6(2,3)9(16,17)10(18)7(13,11(19,20)21)5(12)8(14,15)22-10/h5H,4H2,1-3H3.
What are the key properties of 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane?
2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane has a molecular weight of 350.20 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane is sourced from PubChem (CID 88896174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).