N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide

C10H17F2N3O — CID 120662246

IUPACN'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC(F)(F)C2)CCO1
InChIInChI=1S/C10H17F2N3O/c1-7-6-15(2-3-16-7)9(13)14-8-4-10(11,12)5-8/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyKQDBHRIUTQZPQC-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.82
Rot. Bonds1

About N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide

N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide (PubChem CID 120662246) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide
PubChem CID120662246
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC NameN'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC(F)(F)C2)CCO1
InChIInChI=1S/C10H17F2N3O/c1-7-6-15(2-3-16-7)9(13)14-8-4-10(11,12)5-8/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyKQDBHRIUTQZPQC-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.82
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'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide (CID 120662246) is N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/C2CC(F)(F)C2)CCO1.
What is the InChIKey of N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide?
The InChIKey is KQDBHRIUTQZPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-7-6-15(2-3-16-7)9(13)14-8-4-10(11,12)5-8/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide?
N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide has a molecular weight of 233.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-difluorocyclobutyl)-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).