3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide

C13H10F2N2 — CID 139203017

IUPAC3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C13H10F2N2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H,(H2,16,17)
InChIKeyLOASBRQMBKWVEV-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.00
Rot. Bonds2

About 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide

3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide (PubChem CID 139203017) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
PubChem CID139203017
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide
SMILESN/C(=N\c1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C13H10F2N2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H,(H2,16,17)
InChIKeyLOASBRQMBKWVEV-UHFFFAOYSA-N
XLogP3.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
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

N-Phenylbenzamidine
CID 200127
Benzenecarboximidamide, N-(4-chlorophenyl)-
CID 2304945
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
N-(4-Bromo-phenyl)-benzamidine
CID 2838838
Benzamidine, N-phenyl-, monohydrochloride
CID 200126
3,4-Dihydroquinolin-2-amine
CID 4102304
4-methyl-N-phenylbenzenecarboximidamide
CID 341821
3-Phenyliminoisoindol-1-amine
CID 705539
3-Acetimidoylamino-benzamidine
CID 10776989
N'-Hydroxy-N-phenylbenzenecarboximidamide
CID 284248
Benzeneethanimidamide, N-phenyl-
CID 201919
N-(4-Fluorobenzylidene)aniline
CID 918392

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide (CID 139203017) is 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide is N/C(=N\c1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
The InChIKey is LOASBRQMBKWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-10-4-6-12(7-5-10)17-13(16)9-2-1-3-11(15)8-9/h1-8H,(H2,16,17).
What are the key properties of 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide?
3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide has a molecular weight of 232.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(4-fluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 139203017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).