3,3,3-trifluoro-2-morpholin-4-ylpropanamide

C7H11F3N2O2 — CID 162393335

IUPAC3,3,3-trifluoro-2-morpholin-4-ylpropanamide
SMILESNC(=O)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(6(11)13)12-1-3-14-4-2-12/h5H,1-4H2,(H2,11,13)
InChIKeyAEORMQXRMYXCED-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.27
Rot. Bonds2

About 3,3,3-trifluoro-2-morpholin-4-ylpropanamide

3,3,3-trifluoro-2-morpholin-4-ylpropanamide (PubChem CID 162393335) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-morpholin-4-ylpropanamide
PubChem CID162393335
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name3,3,3-trifluoro-2-morpholin-4-ylpropanamide
SMILESNC(=O)C(N1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)5(6(11)13)12-1-3-14-4-2-12/h5H,1-4H2,(H2,11,13)
InChIKeyAEORMQXRMYXCED-UHFFFAOYSA-N
XLogP-0.27
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3,3,3-trifluoro-2-morpholin-4-ylpropanamide?
The IUPAC name of 3,3,3-trifluoro-2-morpholin-4-ylpropanamide (CID 162393335) is 3,3,3-trifluoro-2-morpholin-4-ylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-morpholin-4-ylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-2-morpholin-4-ylpropanamide is NC(=O)C(N1CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-morpholin-4-ylpropanamide?
The InChIKey is AEORMQXRMYXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)5(6(11)13)12-1-3-14-4-2-12/h5H,1-4H2,(H2,11,13).
What are the key properties of 3,3,3-trifluoro-2-morpholin-4-ylpropanamide?
3,3,3-trifluoro-2-morpholin-4-ylpropanamide has a molecular weight of 212.17 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 162393335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).