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

C7H13F2N3O — CID 79676527

IUPAC4-(2,2-difluoroethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC(F)F)CCO1
InChIInChI=1S/C7H13F2N3O/c8-6(9)4-12-1-2-13-5(3-12)7(10)11/h5-6H,1-4H2,(H3,10,11)
InChIKeyHTBDRQGEHUPTMF-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.11
Rot. Bonds3

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

4-(2,2-difluoroethyl)morpholine-2-carboximidamide (PubChem CID 79676527) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)morpholine-2-carboximidamide
PubChem CID79676527
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name4-(2,2-difluoroethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC(F)F)CCO1
InChIInChI=1S/C7H13F2N3O/c8-6(9)4-12-1-2-13-5(3-12)7(10)11/h5-6H,1-4H2,(H3,10,11)
InChIKeyHTBDRQGEHUPTMF-UHFFFAOYSA-N
XLogP-0.11
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.11
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-difluoroethyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(2,2-difluoroethyl)morpholine-2-carboximidamide (CID 79676527) is 4-(2,2-difluoroethyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(2,2-difluoroethyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CC(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroethyl)morpholine-2-carboximidamide?
The InChIKey is HTBDRQGEHUPTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-6(9)4-12-1-2-13-5(3-12)7(10)11/h5-6H,1-4H2,(H3,10,11).
What are the key properties of 4-(2,2-difluoroethyl)morpholine-2-carboximidamide?
4-(2,2-difluoroethyl)morpholine-2-carboximidamide has a molecular weight of 193.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79676527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).