5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine

C14H20FN — CID 129083998

IUPAC5-fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
SMILESCCCC1=CC(=CN(C1=C)C(=C(C)C)C)F
InChIInChI=1S/C14H20FN/c1-6-7-13-8-14(15)9-16(12(13)5)11(4)10(2)3/h8-9H,5-7H2,1-4H3
InChIKeyLNTNPCOBAGYVSX-UHFFFAOYSA-N
MW221.31 g/mol
LogP4.30
Rot. Bonds3

About 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine

5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine (PubChem CID 129083998) has the molecular formula C14H20FN and a molecular weight of 221.31 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine.

Molecular Properties

Compound Name5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
PubChem CID129083998
Molecular FormulaC14H20FN
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name5-fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
SMILESCCCC1=CC(=CN(C1=C)C(=C(C)C)C)F
InChIInChI=1S/C14H20FN/c1-6-7-13-8-14(15)9-16(12(13)5)11(4)10(2)3/h8-9H,5-7H2,1-4H3
InChIKeyLNTNPCOBAGYVSX-UHFFFAOYSA-N
XLogP4.30
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity382

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 129156390
2-(2-Fluoropropan-2-yl)-6-prop-1-en-2-yl-1-azabicyclo[3.2.1]octa-2,4-diene
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Frequently Asked Questions

What is the IUPAC name of 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine?
The IUPAC name of 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine (CID 129083998) is 5-fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine.
What is the SMILES notation for 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine?
The canonical SMILES for 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine is CCCC1=CC(=CN(C1=C)C(=C(C)C)C)F.
What is the InChIKey of 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine?
The InChIKey is LNTNPCOBAGYVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-6-7-13-8-14(15)9-16(12(13)5)11(4)10(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine?
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine has a molecular weight of 221.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine is sourced from PubChem (CID 129083998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).