4-(trifluoromethyl)morpholine-2-carboxamide

C6H9F3N2O2 — CID 150915000

IUPAC4-(trifluoromethyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(F)(F)F)CCO1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)11-1-2-13-4(3-11)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyLCUNHHPGXAUZDT-UHFFFAOYSA-N
MW198.14 g/mol
LogP-0.31
Rot. Bonds1

About 4-(trifluoromethyl)morpholine-2-carboxamide

4-(trifluoromethyl)morpholine-2-carboxamide (PubChem CID 150915000) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(trifluoromethyl)morpholine-2-carboxamide
PubChem CID150915000
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name4-(trifluoromethyl)morpholine-2-carboxamide
SMILESNC(=O)C1CN(C(F)(F)F)CCO1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)11-1-2-13-4(3-11)5(10)12/h4H,1-3H2,(H2,10,12)
InChIKeyLCUNHHPGXAUZDT-UHFFFAOYSA-N
XLogP-0.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)morpholine-2-carboxamide?
The IUPAC name of 4-(trifluoromethyl)morpholine-2-carboxamide (CID 150915000) is 4-(trifluoromethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(trifluoromethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(trifluoromethyl)morpholine-2-carboxamide is NC(=O)C1CN(C(F)(F)F)CCO1.
What is the InChIKey of 4-(trifluoromethyl)morpholine-2-carboxamide?
The InChIKey is LCUNHHPGXAUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)11-1-2-13-4(3-11)5(10)12/h4H,1-3H2,(H2,10,12).
What are the key properties of 4-(trifluoromethyl)morpholine-2-carboxamide?
4-(trifluoromethyl)morpholine-2-carboxamide has a molecular weight of 198.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)morpholine-2-carboxamide is sourced from PubChem (CID 150915000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).