2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one

C15H18F3NO2 — CID 25234626

IUPAC2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(CN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c1-11(10-19-6-8-21-9-7-19)14(20)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3
InChIKeyAVBOCDVCEVHKFZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one

2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 25234626) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID25234626
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(CN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c1-11(10-19-6-8-21-9-7-19)14(20)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3
InChIKeyAVBOCDVCEVHKFZ-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one (CID 25234626) is 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one is CC(CN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is AVBOCDVCEVHKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-11(10-19-6-8-21-9-7-19)14(20)12-2-4-13(5-3-12)15(16,17)18/h2-5,11H,6-10H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one?
2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 301.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 25234626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).