2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone

C13H14F3NO2 — CID 91752749

IUPAC2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
SMILESCC1C(c2ccccc2)OCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-9-11(10-5-3-2-4-6-10)19-8-7-17(9)12(18)13(14,15)16/h2-6,9,11H,7-8H2,1H3
InChIKeyYCPBSODSZPUBJJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.54
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone

2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone (PubChem CID 91752749) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
PubChem CID91752749
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone
SMILESCC1C(c2ccccc2)OCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-9-11(10-5-3-2-4-6-10)19-8-7-17(9)12(18)13(14,15)16/h2-6,9,11H,7-8H2,1H3
InChIKeyYCPBSODSZPUBJJ-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone (CID 91752749) is 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone is CC1C(c2ccccc2)OCCN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
The InChIKey is YCPBSODSZPUBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9-11(10-5-3-2-4-6-10)19-8-7-17(9)12(18)13(14,15)16/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone?
2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone has a molecular weight of 273.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methyl-2-phenylmorpholin-4-yl)ethanone is sourced from PubChem (CID 91752749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).