6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one

C9H7F7O3 — CID 11066365

IUPAC6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one
SMILESCC1(O)COC(C(F)(F)C(F)(F)C(F)(F)F)=CC1=O
InChIInChI=1S/C9H7F7O3/c1-6(18)3-19-5(2-4(6)17)7(10,11)8(12,13)9(14,15)16/h2,18H,3H2,1H3
InChIKeyYYVWPBDZYMJZGC-UHFFFAOYSA-N
MW296.14 g/mol
LogP2.05
Rot. Bonds2

About 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one

6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one (PubChem CID 11066365) has the molecular formula C9H7F7O3 and a molecular weight of 296.14 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one
PubChem CID11066365
Molecular FormulaC9H7F7O3
Molecular Weight296.14 g/mol
Exact Mass296.03
IUPAC Name6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one
SMILESCC1(O)COC(C(F)(F)C(F)(F)C(F)(F)F)=CC1=O
InChIInChI=1S/C9H7F7O3/c1-6(18)3-19-5(2-4(6)17)7(10,11)8(12,13)9(14,15)16/h2,18H,3H2,1H3
InChIKeyYYVWPBDZYMJZGC-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one?
The IUPAC name of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one (CID 11066365) is 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one.
What is the SMILES notation for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one?
The canonical SMILES for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one is CC1(O)COC(C(F)(F)C(F)(F)C(F)(F)F)=CC1=O.
What is the InChIKey of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one?
The InChIKey is YYVWPBDZYMJZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F7O3/c1-6(18)3-19-5(2-4(6)17)7(10,11)8(12,13)9(14,15)16/h2,18H,3H2,1H3.
What are the key properties of 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one?
6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one has a molecular weight of 296.14 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,3-heptafluoropropyl)-3-hydroxy-3-methyl-2H-pyran-4-one is sourced from PubChem (CID 11066365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).