1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

C16H14F3NO2 — CID 68768290

IUPAC1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1cc(C(=O)CCc2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H14F3NO2/c1-22-15-10-12(8-9-20-15)14(21)7-4-11-2-5-13(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyJVLTXIYDMNDJDE-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one

1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 68768290) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID68768290
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1cc(C(=O)CCc2ccc(C(F)(F)F)cc2)ccn1
InChIInChI=1S/C16H14F3NO2/c1-22-15-10-12(8-9-20-15)14(21)7-4-11-2-5-13(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeyJVLTXIYDMNDJDE-UHFFFAOYSA-N
XLogP3.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215
1-(3-fluoro-4-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 53415618
3-(4-tert-butylphenyl)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 91755690
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009331
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68769341
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 53415502
1-[(3aS,6aS)-5-[4-[4-(trifluoromethyl)phenoxy]benzoyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-3-(2-methoxy-4-pyridinyl)propan-1-one
CID 171683641
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
1-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trifluorophenyl)propan-1-one
CID 24726631
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 68768290) is 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is COc1cc(C(=O)CCc2ccc(C(F)(F)F)cc2)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is JVLTXIYDMNDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-15-10-12(8-9-20-15)14(21)7-4-11-2-5-13(6-3-11)16(17,18)19/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one?
1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 309.29 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 68768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).