3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane

C16H27F5O — CID 155181956

IUPAC3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane
SMILESCCCCC(C)(C)C(F)(F)C1(F)C(CC(C)C)COC1(F)F
InChIInChI=1S/C16H27F5O/c1-6-7-8-13(4,5)15(18,19)14(17)12(9-11(2)3)10-22-16(14,20)21/h11-12H,6-10H2,1-5H3
InChIKeyDBDUEVJDUPYBPB-UHFFFAOYSA-N
MW330.38 g/mol
LogP5.83
Rot. Bonds7

About 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane

3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane (PubChem CID 155181956) has the molecular formula C16H27F5O and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane.

Molecular Properties

Compound Name3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane
PubChem CID155181956
Molecular FormulaC16H27F5O
Molecular Weight330.38 g/mol
Exact Mass330.20
IUPAC Name3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane
SMILESCCCCC(C)(C)C(F)(F)C1(F)C(CC(C)C)COC1(F)F
InChIInChI=1S/C16H27F5O/c1-6-7-8-13(4,5)15(18,19)14(17)12(9-11(2)3)10-22-16(14,20)21/h11-12H,6-10H2,1-5H3
InChIKeyDBDUEVJDUPYBPB-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane with MolForge

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Related Compounds

3-Methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 10424752
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(3,5,5-trimethylhexyl) ether
CID 18787822
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(3,5,5-trimethylhexyl) ether
CID 18787824
4-Ethyl-1-hexyl-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813219
4-Ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
CID 58813226
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-methyloxolane
CID 68343130
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-ethyl-4-methyloxolane
CID 68343134
1-(5,5-Difluoro-6,6-dimethylheptyl)-3-oxabicyclo[3.1.0]hexane
CID 68343135

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane?
The IUPAC name of 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane (CID 155181956) is 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane.
What is the SMILES notation for 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane?
The canonical SMILES for 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane is CCCCC(C)(C)C(F)(F)C1(F)C(CC(C)C)COC1(F)F.
What is the InChIKey of 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane?
The InChIKey is DBDUEVJDUPYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F5O/c1-6-7-8-13(4,5)15(18,19)14(17)12(9-11(2)3)10-22-16(14,20)21/h11-12H,6-10H2,1-5H3.
What are the key properties of 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane?
3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane has a molecular weight of 330.38 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2,2-dimethylhexyl)-2,2,3-trifluoro-4-(2-methylpropyl)oxolane is sourced from PubChem (CID 155181956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).