1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one

C15H12F3NO2 — CID 67889873

IUPAC1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C15H12F3NO2/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)21-15(16,17)18/h3-9H,2H2,1H3
InChIKeyOMHHPCVPQPLOIJ-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.24
Rot. Bonds4

About 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one

1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one (PubChem CID 67889873) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
PubChem CID67889873
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1
InChIInChI=1S/C15H12F3NO2/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)21-15(16,17)18/h3-9H,2H2,1H3
InChIKeyOMHHPCVPQPLOIJ-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one
CID 166038872
1-[4-(5-hydroxy-2-pyridinyl)phenyl]propan-1-one
CID 174654711
3-(methylamino)-4-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]butan-2-one
CID 72557491
4-(5-ethoxy-2-pyridinyl)benzoic acid
CID 110282358
N-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanamine
CID 141113146
5-hex-1-ynyl-2-[4-(trifluoromethoxy)phenyl]pyridine
CID 19386237
6-(4-pentoxyphenyl)pyridine-3-carboxylic acid
CID 12576503
1-[5-(trifluoromethoxy)-3-pyridinyl]propan-1-one
CID 174736151
6-(4-hexoxyphenyl)pyridine-3-carboxylic acid
CID 12576504
3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
ethyl 4-oxo-2-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-quinoline-3-carboxylate
CID 67889905
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one (CID 67889873) is 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one is CCC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1.
What is the InChIKey of 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?
The InChIKey is OMHHPCVPQPLOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-2-14(20)11-5-8-13(19-9-11)10-3-6-12(7-4-10)21-15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one?
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one has a molecular weight of 295.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one is sourced from PubChem (CID 67889873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).