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

C14H12F3NO — CID 102429591

IUPAC2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone
SMILESCC1=C(C(=O)C(F)(F)F)C=CCN1c1ccccc1
InChIInChI=1S/C14H12F3NO/c1-10-12(13(19)14(15,16)17)8-5-9-18(10)11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyFTVGPSRGKWGHHA-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.47
Rot. Bonds2

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

2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone (PubChem CID 102429591) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone
PubChem CID102429591
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone
SMILESCC1=C(C(=O)C(F)(F)F)C=CCN1c1ccccc1
InChIInChI=1S/C14H12F3NO/c1-10-12(13(19)14(15,16)17)8-5-9-18(10)11-6-3-2-4-7-11/h2-8H,9H2,1H3
InChIKeyFTVGPSRGKWGHHA-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone (CID 102429591) is 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone is CC1=C(C(=O)C(F)(F)F)C=CCN1c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone?
The InChIKey is FTVGPSRGKWGHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-10-12(13(19)14(15,16)17)8-5-9-18(10)11-6-3-2-4-7-11/h2-8H,9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone?
2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone has a molecular weight of 267.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-methyl-1-phenyl-2H-pyridin-5-yl)ethanone is sourced from PubChem (CID 102429591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).