pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone

C13H8F3NO2 — CID 68681341

IUPACpyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-8H
InChIKeyBNSLFCJLSZAYNH-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.21
Rot. Bonds3

About pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone

pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 68681341) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID68681341
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Namepyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-8H
InChIKeyBNSLFCJLSZAYNH-UHFFFAOYSA-N
XLogP3.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone (CID 68681341) is pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccncc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is BNSLFCJLSZAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)19-11-3-1-9(2-4-11)12(18)10-5-7-17-8-6-10/h1-8H.
What are the key properties of pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone?
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 267.21 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 68681341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).