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

C9F18O — CID 102600924

IUPAC2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1
InChIKeyVMZMHKMTSBQNDI-UHFFFAOYSA-N
MW466.06 g/mol
LogP5.65
Rot. Bonds3

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

2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane (PubChem CID 102600924) has the molecular formula C9F18O and a molecular weight of 466.06 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
PubChem CID102600924
Molecular FormulaC9F18O
Molecular Weight466.06 g/mol
Exact Mass465.97
IUPAC Name2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1
InChIKeyVMZMHKMTSBQNDI-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.06
LogP ≤ 55.65
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

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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane (CID 102600924) is 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
The InChIKey is VMZMHKMTSBQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18O/c10-2(11,4(14,15)5(16,17)8(23,24)25)1(7(20,21)22)3(12,13)6(18,19)9(26,27)28-1.
What are the key properties of 2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane?
2,2,3,3,4,4-hexafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane has a molecular weight of 466.06 g/mol, XLogP of 5.65, 3 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-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 102600924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).