3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide

C8H13F3N2O2 — CID 43603103

IUPAC3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC1CNCCO1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)3-7(14)13-5-6-4-12-1-2-15-6/h6,12H,1-5H2,(H,13,14)
InChIKeyUARKNWJDIRAGLM-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.04
Rot. Bonds3

About 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide

3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide (PubChem CID 43603103) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide
PubChem CID43603103
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide
SMILESO=C(CC(F)(F)F)NCC1CNCCO1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)3-7(14)13-5-6-4-12-1-2-15-6/h6,12H,1-5H2,(H,13,14)
InChIKeyUARKNWJDIRAGLM-UHFFFAOYSA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide (CID 43603103) is 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide is O=C(CC(F)(F)F)NCC1CNCCO1.
What is the InChIKey of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide?
The InChIKey is UARKNWJDIRAGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)3-7(14)13-5-6-4-12-1-2-15-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide?
3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide has a molecular weight of 226.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(morpholin-2-ylmethyl)propanamide is sourced from PubChem (CID 43603103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).