1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone

C13H21F3N2O3 — CID 97349583

IUPAC1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone
SMILESO=C(CN[C@@H](C1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)12(10-1-5-20-6-2-10)17-9-11(19)18-3-7-21-8-4-18/h10,12,17H,1-9H2/t12-/m0/s1
InChIKeyYUVFDLFZQPMGQU-LBPRGKRZSA-N
MW310.32 g/mol
LogP0.79
Rot. Bonds4

About 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone

1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone (PubChem CID 97349583) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone
PubChem CID97349583
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone
SMILESO=C(CN[C@@H](C1CCOCC1)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)12(10-1-5-20-6-2-10)17-9-11(19)18-3-7-21-8-4-18/h10,12,17H,1-9H2/t12-/m0/s1
InChIKeyYUVFDLFZQPMGQU-LBPRGKRZSA-N
XLogP0.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone (CID 97349583) is 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone is O=C(CN[C@@H](C1CCOCC1)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone?
The InChIKey is YUVFDLFZQPMGQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)12(10-1-5-20-6-2-10)17-9-11(19)18-3-7-21-8-4-18/h10,12,17H,1-9H2/t12-/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone?
1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone has a molecular weight of 310.32 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]amino]ethanone is sourced from PubChem (CID 97349583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).