N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide

C6H13F2N3O — CID 103211890

IUPACN-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide
SMILESC/N=C(\CCOCC(F)F)NN
InChIInChI=1S/C6H13F2N3O/c1-10-6(11-9)2-3-12-4-5(7)8/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyNTPGBHUPCITAST-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds5

About N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide

N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide (PubChem CID 103211890) has the molecular formula C6H13F2N3O and a molecular weight of 181.19 g/mol. Its IUPAC name is N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide.

Molecular Properties

Compound NameN-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide
PubChem CID103211890
Molecular FormulaC6H13F2N3O
Molecular Weight181.19 g/mol
Exact Mass181.10
IUPAC NameN-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide
SMILESC/N=C(\CCOCC(F)F)NN
InChIInChI=1S/C6H13F2N3O/c1-10-6(11-9)2-3-12-4-5(7)8/h5H,2-4,9H2,1H3,(H,10,11)
InChIKeyNTPGBHUPCITAST-UHFFFAOYSA-N
XLogP0.15
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide?
The IUPAC name of N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide (CID 103211890) is N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide.
What is the SMILES notation for N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide?
The canonical SMILES for N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide is C/N=C(\CCOCC(F)F)NN.
What is the InChIKey of N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide?
The InChIKey is NTPGBHUPCITAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O/c1-10-6(11-9)2-3-12-4-5(7)8/h5H,2-4,9H2,1H3,(H,10,11).
What are the key properties of N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide?
N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide has a molecular weight of 181.19 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide is sourced from PubChem (CID 103211890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).