N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide

C8H15F2N3O — CID 120661578

IUPACN'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(F)F)CCO1
InChIInChI=1S/C8H15F2N3O/c1-6-5-13(2-3-14-6)8(11)12-4-7(9)10/h6-7H,2-5H2,1H3,(H2,11,12)
InChIKeyFTWQWXRUEBXPRP-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.29
Rot. Bonds2

About N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide

N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 120661578) has the molecular formula C8H15F2N3O and a molecular weight of 207.22 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide
PubChem CID120661578
Molecular FormulaC8H15F2N3O
Molecular Weight207.22 g/mol
Exact Mass207.12
IUPAC NameN'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/CC(F)F)CCO1
InChIInChI=1S/C8H15F2N3O/c1-6-5-13(2-3-14-6)8(11)12-4-7(9)10/h6-7H,2-5H2,1H3,(H2,11,12)
InChIKeyFTWQWXRUEBXPRP-UHFFFAOYSA-N
XLogP0.29
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide (CID 120661578) is N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/CC(F)F)CCO1.
What is the InChIKey of N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is FTWQWXRUEBXPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O/c1-6-5-13(2-3-14-6)8(11)12-4-7(9)10/h6-7H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide?
N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 207.22 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).