2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C8H10F3NO — CID 106316942

IUPAC2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO/c1-6-3-2-4-12(5-6)7(13)8(9,10)11/h3H,2,4-5H2,1H3
InChIKeyPWQUWSXIQFJMKM-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.73
Rot. Bonds

About 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 106316942) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID106316942
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO/c1-6-3-2-4-12(5-6)7(13)8(9,10)11/h3H,2,4-5H2,1H3
InChIKeyPWQUWSXIQFJMKM-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 106316942) is 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC1=CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is PWQUWSXIQFJMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-6-3-2-4-12(5-6)7(13)8(9,10)11/h3H,2,4-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 193.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 106316942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).