(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one

C11H14FNO — CID 89207139

IUPAC(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
SMILESC/C=C(F)\C=C1\NC(=O)C=CC1(C)C
InChIInChI=1S/C11H14FNO/c1-4-8(12)7-9-11(2,3)6-5-10(14)13-9/h4-7H,1-3H3,(H,13,14)/b8-4+,9-7+
InChIKeyRXTMXJACSBFBQW-QDJBHUIFSA-N
MW195.24 g/mol
LogP2.46
Rot. Bonds1

About (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one

(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one (PubChem CID 89207139) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
PubChem CID89207139
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one
SMILESC/C=C(F)\C=C1\NC(=O)C=CC1(C)C
InChIInChI=1S/C11H14FNO/c1-4-8(12)7-9-11(2,3)6-5-10(14)13-9/h4-7H,1-3H3,(H,13,14)/b8-4+,9-7+
InChIKeyRXTMXJACSBFBQW-QDJBHUIFSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one?
The IUPAC name of (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one (CID 89207139) is (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one.
What is the SMILES notation for (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one?
The canonical SMILES for (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one is C/C=C(F)\C=C1\NC(=O)C=CC1(C)C.
What is the InChIKey of (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one?
The InChIKey is RXTMXJACSBFBQW-QDJBHUIFSA-N. The full InChI is InChI=1S/C11H14FNO/c1-4-8(12)7-9-11(2,3)6-5-10(14)13-9/h4-7H,1-3H3,(H,13,14)/b8-4+,9-7+.
What are the key properties of (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one?
(6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(E)-2-fluorobut-2-enylidene]-5,5-dimethylpyridin-2-one is sourced from PubChem (CID 89207139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).