1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone

C14H11F3N2O2 — CID 172850799

IUPAC1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ncccc1-c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C14H11F3N2O2/c1-9(20)13-11(3-2-6-18-13)12-5-4-10(7-19-12)21-8-14(15,16)17/h2-7H,8H2,1H3
InChIKeyYASLNAIXPHMZEI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.29
Rot. Bonds4

About 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone

1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone (PubChem CID 172850799) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
PubChem CID172850799
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone
SMILESCC(=O)c1ncccc1-c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C14H11F3N2O2/c1-9(20)13-11(3-2-6-18-13)12-5-4-10(7-19-12)21-8-14(15,16)17/h2-7H,8H2,1H3
InChIKeyYASLNAIXPHMZEI-UHFFFAOYSA-N
XLogP3.29
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone (CID 172850799) is 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone is CC(=O)c1ncccc1-c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone?
The InChIKey is YASLNAIXPHMZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-9(20)13-11(3-2-6-18-13)12-5-4-10(7-19-12)21-8-14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone?
1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone has a molecular weight of 296.25 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 172850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).