4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide

C14H11F2N3 — CID 130271294

IUPAC4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H,(H3,17,18,19)
InChIKeyDGPFJASMZSBILD-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.70
Rot. Bonds2

About 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide

4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide (PubChem CID 130271294) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
PubChem CID130271294
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
SMILES[H]/N=C(/N=C(\N)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H11F2N3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H,(H3,17,18,19)
InChIKeyDGPFJASMZSBILD-UHFFFAOYSA-N
XLogP2.70
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.70
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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Related Compounds

4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
N-(1-amino-2,2,2-trifluoroethylidene)-4-(trifluoromethyl)benzenecarboximidamide
CID 139135773
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
CID 142469905
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
1-N,4-N-dihydrazinylidenebenzene-1,4-dicarboximidamide
CID 167095813
carbamimidoyl 4-fluorobenzenecarboximidothioate
CID 130296275
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide
CID 145212338
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-oxopropanoate
CID 19292023
3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
CID 173382294
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 2-chloroacetate
CID 7363991
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide?
The IUPAC name of 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide (CID 130271294) is 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide.
What is the SMILES notation for 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide?
The canonical SMILES for 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide is [H]/N=C(/N=C(\N)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide?
The InChIKey is DGPFJASMZSBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-11-5-1-9(2-6-11)13(17)19-14(18)10-3-7-12(16)8-4-10/h1-8H,(H3,17,18,19).
What are the key properties of 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide?
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide has a molecular weight of 259.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide is sourced from PubChem (CID 130271294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).