2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one

C7H3F7O2 — CID 10015064

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H3F7O2/c8-5(9,3-1-2-4(15)16-3)6(10,11)7(12,13)14/h1-3H
InChIKeyCNLNFEHEUBCQRA-UHFFFAOYSA-N
MW252.09 g/mol
LogP2.30
Rot. Bonds2

About 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one

2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one (PubChem CID 10015064) has the molecular formula C7H3F7O2 and a molecular weight of 252.09 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one
PubChem CID10015064
Molecular FormulaC7H3F7O2
Molecular Weight252.09 g/mol
Exact Mass252.00
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one
SMILESO=C1C=CC(C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C7H3F7O2/c8-5(9,3-1-2-4(15)16-3)6(10,11)7(12,13)14/h1-3H
InChIKeyCNLNFEHEUBCQRA-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.09
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2H-furan-5-one?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one (CID 10015064) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one is O=C1C=CC(C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one?
The InChIKey is CNLNFEHEUBCQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F7O2/c8-5(9,3-1-2-4(15)16-3)6(10,11)7(12,13)14/h1-3H.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one has a molecular weight of 252.09 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-furan-5-one is sourced from PubChem (CID 10015064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).