6,7-difluoro-3-methylnaphthalene-2-carboximidamide

C12H10F2N2 — CID 20595124

IUPAC6,7-difluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)c(F)cc2cc1C
InChIInChI=1S/C12H10F2N2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyGWGXMYAHXVKBTD-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.71
Rot. Bonds1

About 6,7-difluoro-3-methylnaphthalene-2-carboximidamide

6,7-difluoro-3-methylnaphthalene-2-carboximidamide (PubChem CID 20595124) has the molecular formula C12H10F2N2 and a molecular weight of 220.22 g/mol. Its IUPAC name is 6,7-difluoro-3-methylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6,7-difluoro-3-methylnaphthalene-2-carboximidamide
PubChem CID20595124
Molecular FormulaC12H10F2N2
Molecular Weight220.22 g/mol
Exact Mass220.08
IUPAC Name6,7-difluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)c(F)cc2cc1C
InChIInChI=1S/C12H10F2N2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyGWGXMYAHXVKBTD-UHFFFAOYSA-N
XLogP2.71
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.71
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'}

Analyze 6,7-difluoro-3-methylnaphthalene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methylnaphthalene-2-carboximidamide?
The IUPAC name of 6,7-difluoro-3-methylnaphthalene-2-carboximidamide (CID 20595124) is 6,7-difluoro-3-methylnaphthalene-2-carboximidamide.
What is the SMILES notation for 6,7-difluoro-3-methylnaphthalene-2-carboximidamide?
The canonical SMILES for 6,7-difluoro-3-methylnaphthalene-2-carboximidamide is [H]/N=C(\N)c1cc2cc(F)c(F)cc2cc1C.
What is the InChIKey of 6,7-difluoro-3-methylnaphthalene-2-carboximidamide?
The InChIKey is GWGXMYAHXVKBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16).
What are the key properties of 6,7-difluoro-3-methylnaphthalene-2-carboximidamide?
6,7-difluoro-3-methylnaphthalene-2-carboximidamide has a molecular weight of 220.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methylnaphthalene-2-carboximidamide is sourced from PubChem (CID 20595124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).