2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane

C12H18F6O — CID 175369146

IUPAC2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane
SMILESCCCCC1(CCCC)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H18F6O/c1-3-5-7-9(8-6-4-2)10(13,14)11(15,16)12(17,18)19-9/h3-8H2,1-2H3
InChIKeyHBAMOLPYZXBXIZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP5.00
Rot. Bonds6

About 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane

2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane (PubChem CID 175369146) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane.

Molecular Properties

Compound Name2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane
PubChem CID175369146
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane
SMILESCCCCC1(CCCC)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H18F6O/c1-3-5-7-9(8-6-4-2)10(13,14)11(15,16)12(17,18)19-9/h3-8H2,1-2H3
InChIKeyHBAMOLPYZXBXIZ-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Bis[6-(perfluorohexyl)-2,4-dimethylhex-4-yl) ether
CID 87932263
3-Butyl-2,2,3,4,4,5,5-heptafluorooxolane
CID 15788982
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
2,3-Diethyl-2,3,4,4,5,5-hexafluorooxolane
CID 20802273
2,4-Diethyl-2,3,3,4,5,5-hexafluorooxolane
CID 21397503
2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 23328478
5-(1,1-Difluoroethyl)-3-ethyl-2,3,5-trifluoro-2-(trifluoromethyl)oxolane
CID 58488791
5-(1,1-Difluoroethyl)-3-ethyl-2,2,3,5-tetrafluorooxolane
CID 58488792
2-(1,1-Difluoroethyl)-3-ethyl-2,3,4,4,5,5-hexafluorooxolane
CID 58571395
2,2,4,4,7-Pentafluoro-5-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)nonane
CID 60034415
2,2-Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)oxolane
CID 85858648
1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Heptadecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 87275335

Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane?
The IUPAC name of 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane (CID 175369146) is 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane.
What is the SMILES notation for 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane?
The canonical SMILES for 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane is CCCCC1(CCCC)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane?
The InChIKey is HBAMOLPYZXBXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F6O/c1-3-5-7-9(8-6-4-2)10(13,14)11(15,16)12(17,18)19-9/h3-8H2,1-2H3.
What are the key properties of 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane?
2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane has a molecular weight of 292.26 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-3,3,4,4,5,5-hexafluorooxolane is sourced from PubChem (CID 175369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).