1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone

C9H15F3N2O2 — CID 166684123

IUPAC1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESCCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H15F3N2O2/c1-2-13-5-7-6-14(3-4-16-7)8(15)9(10,11)12/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyLRGAYLJMIYAEFK-ZETCQYMHSA-N
MW240.22 g/mol
LogP0.39
Rot. Bonds3

About 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone

1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone (PubChem CID 166684123) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
PubChem CID166684123
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESCCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H15F3N2O2/c1-2-13-5-7-6-14(3-4-16-7)8(15)9(10,11)12/h7,13H,2-6H2,1H3/t7-/m0/s1
InChIKeyLRGAYLJMIYAEFK-ZETCQYMHSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone (CID 166684123) is 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone is CCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is LRGAYLJMIYAEFK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-2-13-5-7-6-14(3-4-16-7)8(15)9(10,11)12/h7,13H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 240.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(ethylaminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 166684123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).