2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane

C13H24F2O — CID 58637725

IUPAC2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane
SMILESCC(C)(C)C1(C)OC(C)(C)C(C)(C)C1(F)F
InChIInChI=1S/C13H24F2O/c1-9(2,3)12(8)13(14,15)10(4,5)11(6,7)16-12/h1-8H3
InChIKeyXKRLFLKFSAFYSJ-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.26
Rot. Bonds

About 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane

2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane (PubChem CID 58637725) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane.

Molecular Properties

Compound Name2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane
PubChem CID58637725
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane
SMILESCC(C)(C)C1(C)OC(C)(C)C(C)(C)C1(F)F
InChIInChI=1S/C13H24F2O/c1-9(2,3)12(8)13(14,15)10(4,5)11(6,7)16-12/h1-8H3
InChIKeyXKRLFLKFSAFYSJ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-t-Butyl-4,4,5,5-tetramethyltetrahydrofurylium tetrafluoroborate
CID 12316854
2-Tert.butyl-3,4,5,5-tetramethyltetrahydrofurylium tetrafluoroborate
CID 16160727
2,4,4,6-Tetramethyl-2,6-bis(trifluoromethyl)oxane
CID 57682188
3,3-Difluoro-2,2,4,4,5,5-hexamethyloxolane
CID 58637708
2-Ethyl-2,3,3,4,4,5,5-heptakis(fluoromethyl)oxolane
CID 88486456
2-(1,1-Difluoro-2,2-dimethylpentyl)-3-(1,1-difluoro-2,2-dimethylpropyl)-2,3,4,4,5,5-hexafluorooxolane
CID 89094207
4-Tert-butyl-2-(1,1-difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluorooxolane
CID 89226710
2-(1,1-Difluoro-2,2-dimethylpropyl)-2,3,3,4,5,5-hexafluoro-4-(2-methylbutan-2-yl)oxolane
CID 89652567
4-Tert-butyl-2-(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,5,5-pentafluoro-3-(trifluoromethyl)oxolane
CID 89652568
2,3-Bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4,5,5-hexafluorooxolane
CID 89652571
Fluoroethane;fluoromethane;2,4,4-trifluoro-3-(fluoromethyl)-2,3,5,5-tetramethyloxolane
CID 90992274
2-(1,1-Difluoro-2,2-dimethylbutyl)-3-(1,1-difluoro-2-methylpropyl)-2,3,4,4,5,5-hexafluorooxolane
CID 122581424

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane?
The IUPAC name of 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane (CID 58637725) is 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane.
What is the SMILES notation for 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane?
The canonical SMILES for 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane is CC(C)(C)C1(C)OC(C)(C)C(C)(C)C1(F)F.
What is the InChIKey of 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane?
The InChIKey is XKRLFLKFSAFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-9(2,3)12(8)13(14,15)10(4,5)11(6,7)16-12/h1-8H3.
What are the key properties of 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane?
2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane has a molecular weight of 234.33 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-difluoro-2,4,4,5,5-pentamethyloxolane is sourced from PubChem (CID 58637725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).