2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane

C14H20F8O — CID 146639802

IUPAC2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane
SMILESCCC(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)CC
InChIInChI=1S/C14H20F8O/c1-5-8(3)11(17,18)13(21)10(15,16)7-23-14(13,22)12(19,20)9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyGJIGAQVVNRMICO-UHFFFAOYSA-N
MW356.30 g/mol
LogP5.39
Rot. Bonds6

About 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane

2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane (PubChem CID 146639802) has the molecular formula C14H20F8O and a molecular weight of 356.30 g/mol. Its IUPAC name is 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane.

Molecular Properties

Compound Name2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane
PubChem CID146639802
Molecular FormulaC14H20F8O
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane
SMILESCCC(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)CC
InChIInChI=1S/C14H20F8O/c1-5-8(3)11(17,18)13(21)10(15,16)7-23-14(13,22)12(19,20)9(4)6-2/h8-9H,5-7H2,1-4H3
InChIKeyGJIGAQVVNRMICO-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.30
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
3-Methyl-4-[2,2,3,3-tetrafluoro-4-(4-methyloxolan-3-yl)butyl]oxolane
CID 10424752
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
2-(1,1,1,2,3,4,4,4-Octafluorobutan-2-yl)oxolane
CID 13271513
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
4,5-Bis(1,1-difluoroethyl)-2,3,3-trifluoro-2-(trifluoromethyl)oxolane
CID 20738948
2,5-Diethyl-3,4-bis(trifluoromethyl)oxolane
CID 20771104
2,5-Diethyl-3-(trifluoromethyl)oxolane
CID 20771105
12-(1,1,2,2-Tetrafluoroethoxymethyl)pentacosane
CID 53946168

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane?
The IUPAC name of 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane (CID 146639802) is 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane.
What is the SMILES notation for 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane?
The canonical SMILES for 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane is CCC(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)CC.
What is the InChIKey of 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane?
The InChIKey is GJIGAQVVNRMICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F8O/c1-5-8(3)11(17,18)13(21)10(15,16)7-23-14(13,22)12(19,20)9(4)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane?
2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane has a molecular weight of 356.30 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1,1-difluoro-2-methylbutyl)-2,3,4,4-tetrafluorooxolane is sourced from PubChem (CID 146639802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).