N-(trifluoromethyl)morpholine-4-carboxamide

C6H9F3N2O2 — CID 108865858

IUPACN-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NC(F)(F)F)N1CCOCC1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)10-5(12)11-1-3-13-4-2-11/h1-4H2,(H,10,12)
InChIKeyKDVRGPANUUWDFH-UHFFFAOYSA-N
MW198.14 g/mol
LogP0.55
Rot. Bonds

About N-(trifluoromethyl)morpholine-4-carboxamide

N-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 108865858) has the molecular formula C6H9F3N2O2 and a molecular weight of 198.14 g/mol. Its IUPAC name is N-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID108865858
Molecular FormulaC6H9F3N2O2
Molecular Weight198.14 g/mol
Exact Mass198.06
IUPAC NameN-(trifluoromethyl)morpholine-4-carboxamide
SMILESO=C(NC(F)(F)F)N1CCOCC1
InChIInChI=1S/C6H9F3N2O2/c7-6(8,9)10-5(12)11-1-3-13-4-2-11/h1-4H2,(H,10,12)
InChIKeyKDVRGPANUUWDFH-UHFFFAOYSA-N
XLogP0.55
TPSA41.57 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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of N-(trifluoromethyl)morpholine-4-carboxamide (CID 108865858) is N-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(trifluoromethyl)morpholine-4-carboxamide is O=C(NC(F)(F)F)N1CCOCC1.
What is the InChIKey of N-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is KDVRGPANUUWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2/c7-6(8,9)10-5(12)11-1-3-13-4-2-11/h1-4H2,(H,10,12).
What are the key properties of N-(trifluoromethyl)morpholine-4-carboxamide?
N-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 198.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 108865858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).