5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one

C12H16FNO — CID 143273338

IUPAC5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
SMILESC=C(/C=C\C1=C(C)N(C)C(=O)CC1)CF
InChIInChI=1S/C12H16FNO/c1-9(8-13)4-5-11-6-7-12(15)14(3)10(11)2/h4-5H,1,6-8H2,2-3H3/b5-4-
InChIKeyWROINNICRDKUPG-PLNGDYQASA-N
MW209.26 g/mol
LogP2.59
Rot. Bonds3

About 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one

5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one (PubChem CID 143273338) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
PubChem CID143273338
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one
SMILESC=C(/C=C\C1=C(C)N(C)C(=O)CC1)CF
InChIInChI=1S/C12H16FNO/c1-9(8-13)4-5-11-6-7-12(15)14(3)10(11)2/h4-5H,1,6-8H2,2-3H3/b5-4-
InChIKeyWROINNICRDKUPG-PLNGDYQASA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one (CID 143273338) is 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one is C=C(/C=C\C1=C(C)N(C)C(=O)CC1)CF.
What is the InChIKey of 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
The InChIKey is WROINNICRDKUPG-PLNGDYQASA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(8-13)4-5-11-6-7-12(15)14(3)10(11)2/h4-5H,1,6-8H2,2-3H3/b5-4-.
What are the key properties of 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one?
5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one has a molecular weight of 209.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-3-(fluoromethyl)buta-1,3-dienyl]-1,6-dimethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 143273338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).