3-[2,2-difluoroethyl(methyl)amino]propanimidamide

C6H13F2N3 — CID 60921772

IUPAC3-[2,2-difluoroethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(F)F
InChIInChI=1S/C6H13F2N3/c1-11(4-5(7)8)3-2-6(9)10/h5H,2-4H2,1H3,(H3,9,10)
InChIKeyWYLVYDHZVCYWCU-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.51
Rot. Bonds5

About 3-[2,2-difluoroethyl(methyl)amino]propanimidamide

3-[2,2-difluoroethyl(methyl)amino]propanimidamide (PubChem CID 60921772) has the molecular formula C6H13F2N3 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(methyl)amino]propanimidamide
PubChem CID60921772
Molecular FormulaC6H13F2N3
Molecular Weight165.19 g/mol
Exact Mass165.11
IUPAC Name3-[2,2-difluoroethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC(F)F
InChIInChI=1S/C6H13F2N3/c1-11(4-5(7)8)3-2-6(9)10/h5H,2-4H2,1H3,(H3,9,10)
InChIKeyWYLVYDHZVCYWCU-UHFFFAOYSA-N
XLogP0.51
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
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 3-[2,2-difluoroethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[2,2-difluoroethyl(methyl)amino]propanimidamide (CID 60921772) is 3-[2,2-difluoroethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[2,2-difluoroethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[2,2-difluoroethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CC(F)F.
What is the InChIKey of 3-[2,2-difluoroethyl(methyl)amino]propanimidamide?
The InChIKey is WYLVYDHZVCYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3/c1-11(4-5(7)8)3-2-6(9)10/h5H,2-4H2,1H3,(H3,9,10).
What are the key properties of 3-[2,2-difluoroethyl(methyl)amino]propanimidamide?
3-[2,2-difluoroethyl(methyl)amino]propanimidamide has a molecular weight of 165.19 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 60921772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).