2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one

C14H10F2O2 — CID 102447033

IUPAC2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=C(F)F)c2ccccc2)o1
InChIInChI=1S/C14H10F2O2/c1-9-7-11(17)8-12(18-9)13(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeySPDAWWQKTZAOIO-UHFFFAOYSA-N
MW248.23 g/mol
LogP3.60
Rot. Bonds2

About 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one

2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one (PubChem CID 102447033) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one.

Molecular Properties

Compound Name2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one
PubChem CID102447033
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=C(F)F)c2ccccc2)o1
InChIInChI=1S/C14H10F2O2/c1-9-7-11(17)8-12(18-9)13(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeySPDAWWQKTZAOIO-UHFFFAOYSA-N
XLogP3.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
1-[2,2-difluoro-1-(4-methylphenyl)ethenyl]-4-phenylbenzene
CID 72708016
2-methyl-6-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)pyran-4-one
CID 155918475
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173
[6-(benzoyloxymethyl)-4-oxopyran-2-yl]methyl 4-methylbenzoate
CID 176655522
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
N-[(2,6-dimethyl-4-oxopyran-3-yl)methyl]benzamide
CID 144663710
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxopyran-2,6-dicarbohydrazide
CID 58459688
2-(2-benzyl-4,6-dihydroxyphenyl)-6-methylpyran-4-one
CID 102423081
N-[3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-6-methyl-4-oxopyran-2-carboxamide
CID 131924597
1-(2,5-dimethylfuran-3-yl)-3-phenylpropane-1,3-dione
CID 43321269
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91792992

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one?
The IUPAC name of 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one (CID 102447033) is 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one.
What is the SMILES notation for 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one?
The canonical SMILES for 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one is Cc1cc(=O)cc(C(=C(F)F)c2ccccc2)o1.
What is the InChIKey of 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one?
The InChIKey is SPDAWWQKTZAOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c1-9-7-11(17)8-12(18-9)13(14(15)16)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one?
2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one has a molecular weight of 248.23 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-1-phenylethenyl)-6-methylpyran-4-one is sourced from PubChem (CID 102447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).