2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

C16F32O — CID 139654631

IUPAC2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16F32O/c17-1(3(18,19)7(26,27)10(32,33)13(38,39)40)2(49-16(47,48)4(1,20)21,5(22,23)8(28,29)11(34,35)14(41,42)43)6(24,25)9(30,31)12(36,37)15(44,45)46
InChIKeyGKIQDKSCSKOMHL-UHFFFAOYSA-N
MW816.11 g/mol
LogP10.10
Rot. Bonds9

About 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (PubChem CID 139654631) has the molecular formula C16F32O and a molecular weight of 816.11 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
PubChem CID139654631
Molecular FormulaC16F32O
Molecular Weight816.11 g/mol
Exact Mass815.94
IUPAC Name2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16F32O/c17-1(3(18,19)7(26,27)10(32,33)13(38,39)40)2(49-16(47,48)4(1,20)21,5(22,23)8(28,29)11(34,35)14(41,42)43)6(24,25)9(30,31)12(36,37)15(44,45)46
InChIKeyGKIQDKSCSKOMHL-UHFFFAOYSA-N
XLogP10.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.11
LogP ≤ 510.10
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-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane with MolForge

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Related Compounds

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
1,1,2,2,3,3,4,4,5,5,6-Undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]cyclohexane
CID 13709900
1,1,2,2,3,3,4,4,5-Nonafluoro-5-[1,1,1,3,3,3-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propan-2-yl]cyclopentane
CID 13709908
1,1,2,2,3,3,4,4,5,5,6,6,7-Tridecafluoro-7-[1,1,1,3,3,3-hexafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propan-2-yl]cycloheptane
CID 20239886
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
2,2,3,4,4,5-Hexafluoro-3,5-bis(1,1,2,2,3,3,3-heptafluoropropyl)oxolane
CID 85610321
1,1,1,2,2,3,3,4,4,5,5,6,6,7,8,9,9,9-Octadecafluoro-7-[1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-octadecafluoro-2-(trifluoromethyl)nonan-3-yl]oxy-8-(trifluoromethyl)nonane
CID 88397329
2,2,3,3,4,4-Hexafluoro-5,5-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 88776726

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The IUPAC name of 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (CID 139654631) is 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.
What is the SMILES notation for 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The canonical SMILES for 2,2,3,3,4-pentafluoro-4,5,5-tris(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(F)C(F)(F)C(F)(F)OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The InChIKey is GKIQDKSCSKOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F32O/c17-1(3(18,19)7(26,27)10(32,33)13(38,39)40)2(49-16(47,48)4(1,20)21,5(22,23)8(28,29)11(34,35)14(41,42)43)6(24,25)9(30,31)12(36,37)15(44,45)46.
What are the key properties of 2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
2,2,3,3,4-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane has a molecular weight of 816.11 g/mol, XLogP of 10.10, 9 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-pentafluoro-4,5,5-tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is sourced from PubChem (CID 139654631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).