2-(trifluoromethyl)morpholine-4-carboxamide

C6H9F3N2O2 — CID 127008665

IUPAC2-(trifluoromethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-11(5(10)12)1-2-13-4/h4H,1-3H2,(H2,10,12)
InChIKeyHQQZZVZZDZJKEA-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.33
Rot. Bonds

About 2-(trifluoromethyl)morpholine-4-carboxamide

2-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 127008665) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID127008665
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC Name2-(trifluoromethyl)morpholine-4-carboxamide
SMILESNC(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-11(5(10)12)1-2-13-4/h4H,1-3H2,(H2,10,12)
InChIKeyHQQZZVZZDZJKEA-UHFFFAOYSA-N
XLogP0.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(trifluoromethyl)morpholine-4-carboxamide (CID 127008665) is 2-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(trifluoromethyl)morpholine-4-carboxamide is NC(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is HQQZZVZZDZJKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)4-3-11(5(10)12)1-2-13-4/h4H,1-3H2,(H2,10,12).
What are the key properties of 2-(trifluoromethyl)morpholine-4-carboxamide?
2-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 198.14 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 127008665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).