3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one

C15H12F3NO2 — CID 105094623

IUPAC3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-14-6-2-1-5-12(14)13(20)8-7-11-4-3-9-19-10-11/h1-6,9-10H,7-8H2
InChIKeyDRJZZORFVHXWLW-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.80
Rot. Bonds5

About 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one

3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 105094623) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID105094623
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(CCc1cccnc1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)21-14-6-2-1-5-12(14)13(20)8-7-11-4-3-9-19-10-11/h1-6,9-10H,7-8H2
InChIKeyDRJZZORFVHXWLW-UHFFFAOYSA-N
XLogP3.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-one
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1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
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3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-one
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N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
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3-(propan-2-ylamino)-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 116556380
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CID 79018019
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3-pyridin-3-ylpropanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one (CID 105094623) is 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one is O=C(CCc1cccnc1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is DRJZZORFVHXWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)21-14-6-2-1-5-12(14)13(20)8-7-11-4-3-9-19-10-11/h1-6,9-10H,7-8H2.
What are the key properties of 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one?
3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 295.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 105094623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).