2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone

C14H10F3NO2 — CID 22282287

IUPAC2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-11(2-4-12)13(19)9-10-5-7-18-8-6-10/h1-8H,9H2
InChIKeyLSKIMPGHYWPUAE-UHFFFAOYSA-N
MW281.23 g/mol
LogP3.41
Rot. Bonds4

About 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone

2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone (PubChem CID 22282287) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone
PubChem CID22282287
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone
SMILESO=C(Cc1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-11(2-4-12)13(19)9-10-5-7-18-8-6-10/h1-8H,9H2
InChIKeyLSKIMPGHYWPUAE-UHFFFAOYSA-N
XLogP3.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone (CID 22282287) is 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone is O=C(Cc1ccncc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is LSKIMPGHYWPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)20-12-3-1-11(2-4-12)13(19)9-10-5-7-18-8-6-10/h1-8H,9H2.
What are the key properties of 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone?
2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 281.23 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-[4-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 22282287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).