1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone

C9H10F3NO — CID 86093580

IUPAC1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESC=CC1=CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h2,4H,1,3,5-6H2
InChIKeyYDQTVPCLQHMVFL-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.89
Rot. Bonds1

About 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone

1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 86093580) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
PubChem CID86093580
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone
SMILESC=CC1=CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h2,4H,1,3,5-6H2
InChIKeyYDQTVPCLQHMVFL-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone (CID 86093580) is 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone is C=CC1=CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is YDQTVPCLQHMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h2,4H,1,3,5-6H2.
What are the key properties of 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone?
1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 205.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 86093580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).