2,2-difluorohexanimidamide

C6H12F2N2 — CID 88908581

IUPAC2,2-difluorohexanimidamide
SMILES[H]/N=C(\N)C(F)(F)CCCC
InChIInChI=1S/C6H12F2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10)
InChIKeyLPTACUIODQTIBV-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.75
Rot. Bonds4

About 2,2-difluorohexanimidamide

2,2-difluorohexanimidamide (PubChem CID 88908581) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 2,2-difluorohexanimidamide.

Molecular Properties

Compound Name2,2-difluorohexanimidamide
PubChem CID88908581
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name2,2-difluorohexanimidamide
SMILES[H]/N=C(\N)C(F)(F)CCCC
InChIInChI=1S/C6H12F2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10)
InChIKeyLPTACUIODQTIBV-UHFFFAOYSA-N
XLogP1.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.75
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-difluorohexanimidamide?
The IUPAC name of 2,2-difluorohexanimidamide (CID 88908581) is 2,2-difluorohexanimidamide.
What is the SMILES notation for 2,2-difluorohexanimidamide?
The canonical SMILES for 2,2-difluorohexanimidamide is [H]/N=C(\N)C(F)(F)CCCC.
What is the InChIKey of 2,2-difluorohexanimidamide?
The InChIKey is LPTACUIODQTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-2-3-4-6(7,8)5(9)10/h2-4H2,1H3,(H3,9,10).
What are the key properties of 2,2-difluorohexanimidamide?
2,2-difluorohexanimidamide has a molecular weight of 150.17 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorohexanimidamide is sourced from PubChem (CID 88908581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).