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

C7H6F3NO — CID 23145232

IUPAC2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone
SMILESO=C(N1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-4H,5H2
InChIKeyFHCUMEBAJKPLNZ-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.46
Rot. Bonds

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

2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone (PubChem CID 23145232) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone
PubChem CID23145232
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone
SMILESO=C(N1C=CC=CC1)C(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-4H,5H2
InChIKeyFHCUMEBAJKPLNZ-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Difluoromethyl)-1,2-dihydropyridin-2-one
CID 23054858
Acetyldihydropyridine
CID 13319478
1-(Trifluoromethyl)pyridin-2-one
CID 20264292
4-Bromo-1-(2,2-difluoroethyl)pyridin-2(1H)-one
CID 23115986
4-Sulfanyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 54411685
1-(difluoromethyl)-4-iodopyridin-2(1H)-one
CID 58102361
5-Iodo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 59541751
1-(2-fluoroethyl)-4-iodopyridin-2(1H)-one
CID 59635767
4-iodo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 66736983
2(1H)-Pyridinone, 1-(2,2,2-trifluoroethyl)-
CID 69719048
1-(2,2-Difluoroethyl)-5-iodopyridin-2-one
CID 79784936
3-Iodo-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 79785181

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone (CID 23145232) is 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone is O=C(N1C=CC=CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone?
The InChIKey is FHCUMEBAJKPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)6(12)11-4-2-1-3-5-11/h1-4H,5H2.
What are the key properties of 2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone?
2,2,2-trifluoro-1-(2H-pyridin-1-yl)ethanone has a molecular weight of 177.12 g/mol, XLogP of 1.46, 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-(2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 23145232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).