1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one

C22H24F3NO2 — CID 42214871

IUPAC1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)12-11-21(27)26-13-14-28-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m0/s1
InChIKeyHVISBMREAKBQES-IBGZPJMESA-N
MW391.43 g/mol
LogP4.78
Rot. Bonds6

About 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one

1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 42214871) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one
PubChem CID42214871
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESO=C(CCC(F)(F)F)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H24F3NO2/c23-22(24,25)12-11-21(27)26-13-14-28-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m0/s1
InChIKeyHVISBMREAKBQES-IBGZPJMESA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one (CID 42214871) is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one is O=C(CCC(F)(F)F)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is HVISBMREAKBQES-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24F3NO2/c23-22(24,25)12-11-21(27)26-13-14-28-19(16-26)15-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 391.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 42214871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).