N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide

C10H19F2N3O2 — CID 120662208

IUPACN'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCOCC(F)F)CCO1
InChIInChI=1S/C10H19F2N3O2/c1-8-6-15(3-5-17-8)10(13)14-2-4-16-7-9(11)12/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyXCYXPLJMELSYKV-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.30
Rot. Bonds5

About N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide

N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120662208) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120662208
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CCOCC(F)F)CCO1
InChIInChI=1S/C10H19F2N3O2/c1-8-6-15(3-5-17-8)10(13)14-2-4-16-7-9(11)12/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyXCYXPLJMELSYKV-UHFFFAOYSA-N
XLogP0.30
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide (CID 120662208) is N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CCOCC(F)F)CCO1.
What is the InChIKey of N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is XCYXPLJMELSYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O2/c1-8-6-15(3-5-17-8)10(13)14-2-4-16-7-9(11)12/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 251.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2-difluoroethoxy)ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).