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

C12H13F3N2O2 — CID 67047487

IUPAC1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-10(12(13,14)15)16-11(9)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3
InChIKeyMITIOWHXHPWGCM-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.14
Rot. Bonds2

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

1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 67047487) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID67047487
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-10(12(13,14)15)16-11(9)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3
InChIKeyMITIOWHXHPWGCM-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 67047487) is 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is MITIOWHXHPWGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-8(18)9-2-3-10(12(13,14)15)16-11(9)17-4-6-19-7-5-17/h2-3H,4-7H2,1H3.
What are the key properties of 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone?
1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 274.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 67047487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).