4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide

C8H14F3N3O — CID 79676063

IUPAC4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-3-4-15-6(5-14)7(12)13/h6H,1-5H2,(H3,12,13)
InChIKeyJRAKQAFPLNEPIG-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.58
Rot. Bonds3

About 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide

4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide (PubChem CID 79676063) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
PubChem CID79676063
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CCC(F)(F)F)CCO1
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-3-4-15-6(5-14)7(12)13/h6H,1-5H2,(H3,12,13)
InChIKeyJRAKQAFPLNEPIG-UHFFFAOYSA-N
XLogP0.58
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.58
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-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide (CID 79676063) is 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CCC(F)(F)F)CCO1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
The InChIKey is JRAKQAFPLNEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)1-2-14-3-4-15-6(5-14)7(12)13/h6H,1-5H2,(H3,12,13).
What are the key properties of 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide?
4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide has a molecular weight of 225.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).