4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide

C7H12F3N3O — CID 79675681

IUPAC4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-1-2-14-5(3-13)6(11)12/h5H,1-4H2,(H3,11,12)
InChIKeyGNJLFAPLEHJCAI-UHFFFAOYSA-N
MW211.19 g/mol
LogP0.19
Rot. Bonds2

About 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide

4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide (PubChem CID 79675681) has the molecular formula C7H12F3N3O and a molecular weight of 211.19 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide
PubChem CID79675681
Molecular FormulaC7H12F3N3O
Molecular Weight211.19 g/mol
Exact Mass211.09
IUPAC Name4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC(F)(F)F)CCO1
InChIInChI=1S/C7H12F3N3O/c8-7(9,10)4-13-1-2-14-5(3-13)6(11)12/h5H,1-4H2,(H3,11,12)
InChIKeyGNJLFAPLEHJCAI-UHFFFAOYSA-N
XLogP0.19
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide (CID 79675681) is 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CC(F)(F)F)CCO1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide?
The InChIKey is GNJLFAPLEHJCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N3O/c8-7(9,10)4-13-1-2-14-5(3-13)6(11)12/h5H,1-4H2,(H3,11,12).
What are the key properties of 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide?
4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide has a molecular weight of 211.19 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79675681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).