(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine

C11H12FN — CID 135128526

IUPAC(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
SMILESC=c1c(C)ccn/c1=C/C=C(\C)F
InChIInChI=1S/C11H12FN/c1-8-6-7-13-11(10(8)3)5-4-9(2)12/h4-7H,3H2,1-2H3/b9-4+,11-5+
InChIKeyMCCQTETVXXUVJG-HINBXAKRSA-N
MW177.22 g/mol
LogP1.45
Rot. Bonds1

About (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine

(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine (PubChem CID 135128526) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine.

Molecular Properties

Compound Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
PubChem CID135128526
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
SMILESC=c1c(C)ccn/c1=C/C=C(\C)F
InChIInChI=1S/C11H12FN/c1-8-6-7-13-11(10(8)3)5-4-9(2)12/h4-7H,3H2,1-2H3/b9-4+,11-5+
InChIKeyMCCQTETVXXUVJG-HINBXAKRSA-N
XLogP1.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine?
The IUPAC name of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine (CID 135128526) is (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine.
What is the SMILES notation for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine?
The canonical SMILES for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine is C=c1c(C)ccn/c1=C/C=C(\C)F.
What is the InChIKey of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine?
The InChIKey is MCCQTETVXXUVJG-HINBXAKRSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-6-7-13-11(10(8)3)5-4-9(2)12/h4-7H,3H2,1-2H3/b9-4+,11-5+.
What are the key properties of (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine?
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine has a molecular weight of 177.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine is sourced from PubChem (CID 135128526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).