2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one

C14H6F8O2 — CID 12656437

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one
SMILESO=c1cc(-c2ccccc2)oc(C(F)(F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C14H6F8O2/c15-12(16,14(20,21)22)11-10(13(17,18)19)8(23)6-9(24-11)7-4-2-1-3-5-7/h1-6H
InChIKeyQEICOGCXQCCFEG-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.98
Rot. Bonds2

About 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one

2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one (PubChem CID 12656437) has the molecular formula C14H6F8O2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one
PubChem CID12656437
Molecular FormulaC14H6F8O2
Molecular Weight358.18 g/mol
Exact Mass358.02
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one
SMILESO=c1cc(-c2ccccc2)oc(C(F)(F)C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C14H6F8O2/c15-12(16,14(20,21)22)11-10(13(17,18)19)8(23)6-9(24-11)7-4-2-1-3-5-7/h1-6H
InChIKeyQEICOGCXQCCFEG-UHFFFAOYSA-N
XLogP4.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dracorhodin
CID 69509
2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
2,6-Diphenyl-4H-pyran-4-one
CID 283227
6-phenyl-2H-pyran-2-one
CID 5162569
Bullatenone
CID 100464
5-Methoxy-2-phenyl-7H-1-benzopyran-7-one
CID 610735
Pentafluoroprop-1-en-2-yl benzoate
CID 2782398
3-[(4-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
CID 1479277
2,5-Cyclohexadiene-1,4-dione, 2-(phenylmethoxy)-
CID 5314262
4,4,5,5-Tetrafluoro-3-hydroxy-1-phenyl-2-penten-1-one
CID 5655257
4-Methoxy-6-phenylpyran-2-one
CID 249888
Benzyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 131853254

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one (CID 12656437) is 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one is O=c1cc(-c2ccccc2)oc(C(F)(F)C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one?
The InChIKey is QEICOGCXQCCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F8O2/c15-12(16,14(20,21)22)11-10(13(17,18)19)8(23)6-9(24-11)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one?
2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one has a molecular weight of 358.18 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-6-phenyl-3-(trifluoromethyl)pyran-4-one is sourced from PubChem (CID 12656437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).