1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone

C16H16F3NO — CID 102429595

IUPAC1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESCCC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1
InChIInChI=1S/C16H16F3NO/c1-2-14-13(15(21)16(17,18)19)9-6-10-20(14)11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3
InChIKeyZFFQCAQSWSSCGT-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.85
Rot. Bonds4

About 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone

1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone (PubChem CID 102429595) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
PubChem CID102429595
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESCCC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1
InChIInChI=1S/C16H16F3NO/c1-2-14-13(15(21)16(17,18)19)9-6-10-20(14)11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3
InChIKeyZFFQCAQSWSSCGT-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone (CID 102429595) is 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone is CCC1=C(C(=O)C(F)(F)F)C=CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is ZFFQCAQSWSSCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-2-14-13(15(21)16(17,18)19)9-6-10-20(14)11-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone?
1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 295.30 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-6-ethyl-2H-pyridin-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 102429595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).