2,2-difluoropropanimidamide

C3H6F2N2 — CID 54521258

IUPAC2,2-difluoropropanimidamide
SMILES[H]/N=C(\N)C(C)(F)F
InChIInChI=1S/C3H6F2N2/c1-3(4,5)2(6)7/h1H3,(H3,6,7)
InChIKeyYPZXTESEBLYFRJ-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.58
Rot. Bonds1

About 2,2-difluoropropanimidamide

2,2-difluoropropanimidamide (PubChem CID 54521258) has the molecular formula C3H6F2N2 and a molecular weight of 108.09 g/mol. Its IUPAC name is 2,2-difluoropropanimidamide.

Molecular Properties

Compound Name2,2-difluoropropanimidamide
PubChem CID54521258
Molecular FormulaC3H6F2N2
Molecular Weight108.09 g/mol
Exact Mass108.05
IUPAC Name2,2-difluoropropanimidamide
SMILES[H]/N=C(\N)C(C)(F)F
InChIInChI=1S/C3H6F2N2/c1-3(4,5)2(6)7/h1H3,(H3,6,7)
InChIKeyYPZXTESEBLYFRJ-UHFFFAOYSA-N
XLogP0.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2,2-difluoropropanimidamide?
The IUPAC name of 2,2-difluoropropanimidamide (CID 54521258) is 2,2-difluoropropanimidamide.
What is the SMILES notation for 2,2-difluoropropanimidamide?
The canonical SMILES for 2,2-difluoropropanimidamide is [H]/N=C(\N)C(C)(F)F.
What is the InChIKey of 2,2-difluoropropanimidamide?
The InChIKey is YPZXTESEBLYFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2/c1-3(4,5)2(6)7/h1H3,(H3,6,7).
What are the key properties of 2,2-difluoropropanimidamide?
2,2-difluoropropanimidamide has a molecular weight of 108.09 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropanimidamide is sourced from PubChem (CID 54521258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).