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

C7H11F3N2O2 — CID 82508420

IUPAC1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESNCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)12-1-2-14-5(3-11)4-12/h5H,1-4,11H2
InChIKeyXIBDBNYDLIEATC-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.27
Rot. Bonds1

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

1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone (PubChem CID 82508420) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
PubChem CID82508420
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone
SMILESNCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)12-1-2-14-5(3-11)4-12/h5H,1-4,11H2
InChIKeyXIBDBNYDLIEATC-UHFFFAOYSA-N
XLogP-0.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone (CID 82508420) is 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone is NCC1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is XIBDBNYDLIEATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)6(13)12-1-2-14-5(3-11)4-12/h5H,1-4,11H2.
What are the key properties of 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone?
1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 212.17 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)morpholin-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 82508420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).