3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine

C7H16F2N4O — CID 104888984

IUPAC3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCOCC/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N4O/c1-13(5-6(8)9)7(12-10)11-3-4-14-2/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyFNUMBSDEHQKPOE-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.35
Rot. Bonds5

About 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine

3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine (PubChem CID 104888984) has the molecular formula C7H16F2N4O and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine
PubChem CID104888984
Molecular FormulaC7H16F2N4O
Molecular Weight210.23 g/mol
Exact Mass210.13
IUPAC Name3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCOCC/N=C(/NN)N(C)CC(F)F
InChIInChI=1S/C7H16F2N4O/c1-13(5-6(8)9)7(12-10)11-3-4-14-2/h6H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyFNUMBSDEHQKPOE-UHFFFAOYSA-N
XLogP-0.35
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.35
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 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine (CID 104888984) is 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine is COCC/N=C(/NN)N(C)CC(F)F.
What is the InChIKey of 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The InChIKey is FNUMBSDEHQKPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N4O/c1-13(5-6(8)9)7(12-10)11-3-4-14-2/h6H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine?
3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine has a molecular weight of 210.23 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-difluoroethyl)-2-(2-methoxyethyl)-1-methylguanidine is sourced from PubChem (CID 104888984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).