2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine

C13H20FN — CID 164902277

IUPAC2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine
SMILESC=C1C=C(C(C)C)C=C(C(C)(C)F)N1C
InChIInChI=1S/C13H20FN/c1-9(2)11-7-10(3)15(6)12(8-11)13(4,5)14/h7-9H,3H2,1-2,4-6H3
InChIKeyMYVAYLDKXVRAEE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.66
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine

2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine (PubChem CID 164902277) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine
PubChem CID164902277
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine
SMILESC=C1C=C(C(C)C)C=C(C(C)(C)F)N1C
InChIInChI=1S/C13H20FN/c1-9(2)11-7-10(3)15(6)12(8-11)13(4,5)14/h7-9H,3H2,1-2,4-6H3
InChIKeyMYVAYLDKXVRAEE-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine (CID 164902277) is 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine is C=C1C=C(C(C)C)C=C(C(C)(C)F)N1C.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine?
The InChIKey is MYVAYLDKXVRAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-9(2)11-7-10(3)15(6)12(8-11)13(4,5)14/h7-9H,3H2,1-2,4-6H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine?
2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine has a molecular weight of 209.31 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-1-methyl-6-methylidene-4-propan-2-ylpyridine is sourced from PubChem (CID 164902277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).