2,2-difluorobutanimidamide

C4H8F2N2 — CID 115011099

IUPAC2,2-difluorobutanimidamide
SMILES[H]/N=C(\N)C(F)(F)CC
InChIInChI=1S/C4H8F2N2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H3,7,8)
InChIKeyCWORDIRTPWGYNL-UHFFFAOYSA-N
MW122.12 g/mol
LogP0.97
Rot. Bonds2

About 2,2-difluorobutanimidamide

2,2-difluorobutanimidamide (PubChem CID 115011099) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 2,2-difluorobutanimidamide.

Molecular Properties

Compound Name2,2-difluorobutanimidamide
PubChem CID115011099
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name2,2-difluorobutanimidamide
SMILES[H]/N=C(\N)C(F)(F)CC
InChIInChI=1S/C4H8F2N2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H3,7,8)
InChIKeyCWORDIRTPWGYNL-UHFFFAOYSA-N
XLogP0.97
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.97
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-difluorobutanimidamide?
The IUPAC name of 2,2-difluorobutanimidamide (CID 115011099) is 2,2-difluorobutanimidamide.
What is the SMILES notation for 2,2-difluorobutanimidamide?
The canonical SMILES for 2,2-difluorobutanimidamide is [H]/N=C(\N)C(F)(F)CC.
What is the InChIKey of 2,2-difluorobutanimidamide?
The InChIKey is CWORDIRTPWGYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2/c1-2-4(5,6)3(7)8/h2H2,1H3,(H3,7,8).
What are the key properties of 2,2-difluorobutanimidamide?
2,2-difluorobutanimidamide has a molecular weight of 122.12 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutanimidamide is sourced from PubChem (CID 115011099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).