1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one

C12H21F3N2O2 — CID 45217728

IUPAC1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCN(C)CCC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C12H21F3N2O2/c1-16(2)6-4-10-9-17(7-8-19-10)11(18)3-5-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyCHWOYGGAXZZVCU-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.51
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one

1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one (PubChem CID 45217728) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one
PubChem CID45217728
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one
SMILESCN(C)CCC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C12H21F3N2O2/c1-16(2)6-4-10-9-17(7-8-19-10)11(18)3-5-12(13,14)15/h10H,3-9H2,1-2H3
InChIKeyCHWOYGGAXZZVCU-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one (CID 45217728) is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one is CN(C)CCC1CN(C(=O)CCC(F)(F)F)CCO1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
The InChIKey is CHWOYGGAXZZVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-16(2)6-4-10-9-17(7-8-19-10)11(18)3-5-12(13,14)15/h10H,3-9H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one?
1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one has a molecular weight of 282.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 45217728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).