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

C16H24F8O — CID 139575644

IUPAC2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C16H24F8O/c1-7-10(3,4)14(20,21)13(19)12(17,18)9-25-16(13,24)15(22,23)11(5,6)8-2/h7-9H2,1-6H3
InChIKeyPRFOIDLWZLWHCE-UHFFFAOYSA-N
MW384.35 g/mol
LogP6.17
Rot. Bonds6

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

2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane (PubChem CID 139575644) has the molecular formula C16H24F8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane.

Molecular Properties

Compound Name2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane
PubChem CID139575644
Molecular FormulaC16H24F8O
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane
SMILESCCC(C)(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)(C)CC
InChIInChI=1S/C16H24F8O/c1-7-10(3,4)14(20,21)13(19)12(17,18)9-25-16(13,24)15(22,23)11(5,6)8-2/h7-9H2,1-6H3
InChIKeyPRFOIDLWZLWHCE-UHFFFAOYSA-N
XLogP6.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.35
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ncfuemzhjcqqpd-uhfffaoysa-
CID 12672279
(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
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 58275568
8-Ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
2-Tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
CID 59848424
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-methyloxolane
CID 68343130
3-(5,5-Difluoro-6,6-dimethylheptyl)-3-ethyl-4-methyloxolane
CID 68343134
3-(3,3-Difluoro-4-methylpentyl)-3-methyloxolane
CID 68343144
3-(6,6-Difluoro-7-methyloctyl)-3-methyloxolane
CID 68343175
3-(4,4-Difluoro-5-methylhexyl)-3-methyloxolane
CID 68343177
3-(4,4-Difluoro-5,5-dimethylhexyl)-3-methyloxolane
CID 68343241

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane?
The IUPAC name of 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane (CID 139575644) is 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane.
What is the SMILES notation for 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane?
The canonical SMILES for 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane is CCC(C)(C)C(F)(F)C1(F)OCC(F)(F)C1(F)C(F)(F)C(C)(C)CC.
What is the InChIKey of 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane?
The InChIKey is PRFOIDLWZLWHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F8O/c1-7-10(3,4)14(20,21)13(19)12(17,18)9-25-16(13,24)15(22,23)11(5,6)8-2/h7-9H2,1-6H3.
What are the key properties of 2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane?
2,3-bis(1,1-difluoro-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane has a molecular weight of 384.35 g/mol, XLogP of 6.17, 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-2,2-dimethylbutyl)-2,3,4,4-tetrafluorooxolane is sourced from PubChem (CID 139575644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).