2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

C12F24O — CID 88776726

IUPAC2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F24O/c13-2(14,5(19,20)7(23,24)10(29,30)31)1(4(17,18)9(27,28)12(35,36)37-1)3(15,16)6(21,22)8(25,26)11(32,33)34
InChIKeyAXWOJVDHWOPONI-UHFFFAOYSA-N
MW616.08 g/mol
LogP7.56
Rot. Bonds6

About 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (PubChem CID 88776726) has the molecular formula C12F24O and a molecular weight of 616.08 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
PubChem CID88776726
Molecular FormulaC12F24O
Molecular Weight616.08 g/mol
Exact Mass615.96
IUPAC Name2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F24O/c13-2(14,5(19,20)7(23,24)10(29,30)31)1(4(17,18)9(27,28)12(35,36)37-1)3(15,16)6(21,22)8(25,26)11(32,33)34
InChIKeyAXWOJVDHWOPONI-UHFFFAOYSA-N
XLogP7.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.08
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane with MolForge

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Related Compounds

Furan, 2,2,3,3,4,5,5-heptafluorotetrahydro-4-(nonafluorobutyl)-
CID 9866578
Perfluoro(1-oxaspiro[4.4]nonane)
CID 567768
Perfluoro(3-methyl-1-oxaspiro[4.5]decane)
CID 582845
(3S,5R)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
CID 175884682
Perfluoro(1-oxaspiro[4.5]decane)
CID 550260
2,2,3,3,4,4,5-Heptafluoro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)oxolane
CID 13271514
2,2,3,4,4,5-Hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-(trifluoromethyl)oxolane
CID 20388260
2,2,3,4,4,5-Hexafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(1,1,2,2,2-pentafluoroethyl)oxolane
CID 20388267
(3S,5S)-2,2,3,4,4,5-hexafluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)oxolane
CID 23236485
2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 23328478
2,2,3,4,4,5-Hexafluoro-3,5-bis(1,1,2,2,2-pentafluoroethyl)oxolane
CID 54085617
2,2,3,4,4,5-Hexafluoro-3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
CID 85610321

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (CID 88776726) is 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The InChIKey is AXWOJVDHWOPONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24O/c13-2(14,5(19,20)7(23,24)10(29,30)31)1(4(17,18)9(27,28)12(35,36)37-1)3(15,16)6(21,22)8(25,26)11(32,33)34.
What are the key properties of 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane has a molecular weight of 616.08 g/mol, XLogP of 7.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is sourced from PubChem (CID 88776726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).