1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one

C15H12F3NO2 — CID 895302

IUPAC1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO2/c1-2-13(20)10-3-6-12(7-4-10)21-14-8-5-11(9-19-14)15(16,17)18/h3-9H,2H2,1H3
InChIKeyDEDZVTYAMTWYCY-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.49
Rot. Bonds4

About 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one

1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one (PubChem CID 895302) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one
PubChem CID895302
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO2/c1-2-13(20)10-3-6-12(7-4-10)21-14-8-5-11(9-19-14)15(16,17)18/h3-9H,2H2,1H3
InChIKeyDEDZVTYAMTWYCY-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)nicotinamide
CID 11837154
5H-chromeno(2,3-b)pyridin-5-one
CID 659312
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
4-Methylphenyl pyridine-3-carboxylate
CID 735961
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
(2E)-5-Methoxy-2-(pyridin-3-ylmethylidene)-2,3-dihydro-1Hinden-1-one (11b)
CID 122172776
9P7ZX5Bwv8
CID 9904911
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
3-Methoxy-4-(pyridin-4-ylmethoxy)benzaldehyde
CID 759793
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
2-Methylphenyl nicotinate
CID 829373
(4-Methoxyphenyl)-2-pyridinylmethanone
CID 80559

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one (CID 895302) is 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one?
The InChIKey is DEDZVTYAMTWYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-2-13(20)10-3-6-12(7-4-10)21-14-8-5-11(9-19-14)15(16,17)18/h3-9H,2H2,1H3.
What are the key properties of 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one?
1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one has a molecular weight of 295.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propan-1-one is sourced from PubChem (CID 895302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).