4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C16F14O6 — CID 56633487

IUPAC4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(C(F)(F)C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3c(C(F)(F)C(F)(F)C(F)(F)F)c12
InChIInChI=1S/C16F14O6/c17-11(18,13(21,22)15(25,26)27)5-1-2(8(32)35-7(1)31)6(4-3(5)9(33)36-10(4)34)12(19,20)14(23,24)16(28,29)30
InChIKeyYTYWKRNGHGVFGN-UHFFFAOYSA-N
MW554.14 g/mol
LogP4.07
Rot. Bonds4

About 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 56633487) has the molecular formula C16F14O6 and a molecular weight of 554.14 g/mol. Its IUPAC name is 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID56633487
Molecular FormulaC16F14O6
Molecular Weight554.14 g/mol
Exact Mass553.95
IUPAC Name4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESO=c1oc(=O)c2c(C(F)(F)C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3c(C(F)(F)C(F)(F)C(F)(F)F)c12
InChIInChI=1S/C16F14O6/c17-11(18,13(21,22)15(25,26)27)5-1-2(8(32)35-7(1)31)6(4-3(5)9(33)36-10(4)34)12(19,20)14(23,24)16(28,29)30
InChIKeyYTYWKRNGHGVFGN-UHFFFAOYSA-N
XLogP4.07
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 56633487) is 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is O=c1oc(=O)c2c(C(F)(F)C(F)(F)C(F)(F)F)c3c(=O)oc(=O)c3c(C(F)(F)C(F)(F)C(F)(F)F)c12.
What is the InChIKey of 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is YTYWKRNGHGVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16F14O6/c17-11(18,13(21,22)15(25,26)27)5-1-2(8(32)35-7(1)31)6(4-3(5)9(33)36-10(4)34)12(19,20)14(23,24)16(28,29)30.
What are the key properties of 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 554.14 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(1,1,2,2,3,3,3-heptafluoropropyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 56633487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).