1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine

C11H15FN2 — CID 154965437

IUPAC1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1C(C)(C)C(=C)F
InChIInChI=1S/C11H15FN2/c1-8-5-6-14(10(13)7-8)11(3,4)9(2)12/h5-7,13H,2H2,1,3-4H3/b13-10+
InChIKeyZDAKOOGELMKNPM-JLHYYAGUSA-N
MW194.25 g/mol
LogP2.49
Rot. Bonds2

About 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine

1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine (PubChem CID 154965437) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
PubChem CID154965437
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
SMILES[H]/N=c1\cc(C)ccn1C(C)(C)C(=C)F
InChIInChI=1S/C11H15FN2/c1-8-5-6-14(10(13)7-8)11(3,4)9(2)12/h5-7,13H,2H2,1,3-4H3/b13-10+
InChIKeyZDAKOOGELMKNPM-JLHYYAGUSA-N
XLogP2.49
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?
The IUPAC name of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine (CID 154965437) is 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine.
What is the SMILES notation for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?
The canonical SMILES for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine is [H]/N=c1\cc(C)ccn1C(C)(C)C(=C)F.
What is the InChIKey of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?
The InChIKey is ZDAKOOGELMKNPM-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-5-6-14(10(13)7-8)11(3,4)9(2)12/h5-7,13H,2H2,1,3-4H3/b13-10+.
What are the key properties of 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine?
1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine has a molecular weight of 194.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine is sourced from PubChem (CID 154965437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).