1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone

C13H14F3NO2 — CID 126497926

IUPAC1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C13H14F3NO2/c1-9(18)11-3-2-10(13(14,15)16)8-12(11)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyRSIURHGVTALLEU-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.74
Rot. Bonds2

About 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone

1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone (PubChem CID 126497926) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone
PubChem CID126497926
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C13H14F3NO2/c1-9(18)11-3-2-10(13(14,15)16)8-12(11)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyRSIURHGVTALLEU-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone (CID 126497926) is 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone is CC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is RSIURHGVTALLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9(18)11-3-2-10(13(14,15)16)8-12(11)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone?
1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 273.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 126497926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).