2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone

C8H8F3NO — CID 121422648

IUPAC2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone
SMILESCC1C=CC=CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-6-4-2-3-5-12(6)7(13)8(9,10)11/h2-6H,1H3
InChIKeyYVFWOYBLYPGEDL-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.85
Rot. Bonds

About 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone

2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone (PubChem CID 121422648) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone
PubChem CID121422648
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone
SMILESCC1C=CC=CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-6-4-2-3-5-12(6)7(13)8(9,10)11/h2-6H,1H3
InChIKeyYVFWOYBLYPGEDL-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone (CID 121422648) is 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone is CC1C=CC=CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone?
The InChIKey is YVFWOYBLYPGEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-6-4-2-3-5-12(6)7(13)8(9,10)11/h2-6H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone?
2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone has a molecular weight of 191.15 g/mol, XLogP of 1.85, 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-(2-methyl-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 121422648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).