2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

C11H6F16O — CID 175012727

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(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)F)CCCO1
InChIInChI=1S/C11H6F16O/c12-5(13,7(16,17)9(20,21)11(25,26)27)4(2-1-3-28-4)6(14,15)8(18,19)10(22,23)24/h1-3H2
InChIKeyRHEPBJNFPFYYPJ-UHFFFAOYSA-N
MW458.14 g/mol
LogP5.84
Rot. Bonds5

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane

2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (PubChem CID 175012727) has the molecular formula C11H6F16O and a molecular weight of 458.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
PubChem CID175012727
Molecular FormulaC11H6F16O
Molecular Weight458.14 g/mol
Exact Mass458.02
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(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)F)CCCO1
InChIInChI=1S/C11H6F16O/c12-5(13,7(16,17)9(20,21)11(25,26)27)4(2-1-3-28-4)6(14,15)8(18,19)10(22,23)24/h1-3H2
InChIKeyRHEPBJNFPFYYPJ-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.14
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane (CID 175012727) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(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)F)CCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
The InChIKey is RHEPBJNFPFYYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O/c12-5(13,7(16,17)9(20,21)11(25,26)27)4(2-1-3-28-4)6(14,15)8(18,19)10(22,23)24/h1-3H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane has a molecular weight of 458.14 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane is sourced from PubChem (CID 175012727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).