1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone

C12H13F3N2O2 — CID 56917106

IUPAC1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCOC(C(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-11(16-6-9)17-4-5-19-10(7-17)12(13,14)15/h2-3,6,10H,4-5,7H2,1H3
InChIKeyAVHMXBWYYZQFRK-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.05
Rot. Bonds2

About 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone

1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone (PubChem CID 56917106) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone
PubChem CID56917106
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCOC(C(F)(F)F)C2)nc1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-11(16-6-9)17-4-5-19-10(7-17)12(13,14)15/h2-3,6,10H,4-5,7H2,1H3
InChIKeyAVHMXBWYYZQFRK-UHFFFAOYSA-N
XLogP2.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone (CID 56917106) is 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCOC(C(F)(F)F)C2)nc1.
What is the InChIKey of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone?
The InChIKey is AVHMXBWYYZQFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-11(16-6-9)17-4-5-19-10(7-17)12(13,14)15/h2-3,6,10H,4-5,7H2,1H3.
What are the key properties of 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone?
1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone has a molecular weight of 274.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(trifluoromethyl)morpholin-4-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 56917106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).