2,2-difluoroethanimidamide

C2H4F2N2 — CID 26597148

IUPAC2,2-difluoroethanimidamide
SMILES[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2/c3-1(4)2(5)6/h1H,(H3,5,6)
InChIKeyRBTHHWTYEDYOBS-UHFFFAOYSA-N
MW94.06 g/mol
LogP0.19
Rot. Bonds1

About 2,2-difluoroethanimidamide

2,2-difluoroethanimidamide (PubChem CID 26597148) has the molecular formula C2H4F2N2 and a molecular weight of 94.06 g/mol. Its IUPAC name is 2,2-difluoroethanimidamide.

Molecular Properties

Compound Name2,2-difluoroethanimidamide
PubChem CID26597148
Molecular FormulaC2H4F2N2
Molecular Weight94.06 g/mol
Exact Mass94.03
IUPAC Name2,2-difluoroethanimidamide
SMILES[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2/c3-1(4)2(5)6/h1H,(H3,5,6)
InChIKeyRBTHHWTYEDYOBS-UHFFFAOYSA-N
XLogP0.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.06
LogP ≤ 50.19
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-difluoroethanimidamide?
The IUPAC name of 2,2-difluoroethanimidamide (CID 26597148) is 2,2-difluoroethanimidamide.
What is the SMILES notation for 2,2-difluoroethanimidamide?
The canonical SMILES for 2,2-difluoroethanimidamide is [H]/N=C(\N)C(F)F.
What is the InChIKey of 2,2-difluoroethanimidamide?
The InChIKey is RBTHHWTYEDYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2N2/c3-1(4)2(5)6/h1H,(H3,5,6).
What are the key properties of 2,2-difluoroethanimidamide?
2,2-difluoroethanimidamide has a molecular weight of 94.06 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanimidamide is sourced from PubChem (CID 26597148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).