2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane

C19F38O — CID 172728698

IUPAC2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19F38O/c20-1(2(21,22)4(25,26)5(27,28)11(39,40)14(45,46)17(50,51)52)3(23,24)19(56,57)58-16(1,49)13(43,44)10(37,38)8(33,34)6(29,30)7(31,32)9(35,36)12(41,42)15(47,48)18(53,54)55
InChIKeyHMPLJUTYOHIRTP-UHFFFAOYSA-N
MW966.13 g/mol
LogP12.00
Rot. Bonds13

About 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane

2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane (PubChem CID 172728698) has the molecular formula C19F38O and a molecular weight of 966.13 g/mol. Its IUPAC name is 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane.

Molecular Properties

Compound Name2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane
PubChem CID172728698
Molecular FormulaC19F38O
Molecular Weight966.13 g/mol
Exact Mass965.93
IUPAC Name2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C19F38O/c20-1(2(21,22)4(25,26)5(27,28)11(39,40)14(45,46)17(50,51)52)3(23,24)19(56,57)58-16(1,49)13(43,44)10(37,38)8(33,34)6(29,30)7(31,32)9(35,36)12(41,42)15(47,48)18(53,54)55
InChIKeyHMPLJUTYOHIRTP-UHFFFAOYSA-N
XLogP12.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.13
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)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
2,2,3,4,4,5-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
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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane?
The IUPAC name of 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane (CID 172728698) is 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane.
What is the SMILES notation for 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane?
The canonical SMILES for 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane?
The InChIKey is HMPLJUTYOHIRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19F38O/c20-1(2(21,22)4(25,26)5(27,28)11(39,40)14(45,46)17(50,51)52)3(23,24)19(56,57)58-16(1,49)13(43,44)10(37,38)8(33,34)6(29,30)7(31,32)9(35,36)12(41,42)15(47,48)18(53,54)55.
What are the key properties of 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane?
2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane has a molecular weight of 966.13 g/mol, XLogP of 12.00, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5-hexafluoro-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxolane is sourced from PubChem (CID 172728698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).