4-(fluoromethyl)benzenecarboximidamide

C8H9FN2 — CID 54562036

IUPAC4-(fluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CF)cc1
InChIInChI=1S/C8H9FN2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyAUFDKYGUAGUVNV-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.44
Rot. Bonds2

About 4-(fluoromethyl)benzenecarboximidamide

4-(fluoromethyl)benzenecarboximidamide (PubChem CID 54562036) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-(fluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(fluoromethyl)benzenecarboximidamide
PubChem CID54562036
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name4-(fluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CF)cc1
InChIInChI=1S/C8H9FN2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H3,10,11)
InChIKeyAUFDKYGUAGUVNV-UHFFFAOYSA-N
XLogP1.44
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.44
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

Benzamidine, hydrochloride
CID 80289
Benzamidine
CID 2332
Stilbamidine
CID 5351747
Benzamidoxime
CID 7259353
Benzamidinium chloride
CID 444655
Benzamidine HCl hydrate
CID 16219042
4-Methylbenzene-1-carboximidamide hydrochloride
CID 122753
4-(Trifluoromethyl)benzenecarboximidamide
CID 2777390
4-fluoro-N'-hydroxy-benzamidine
CID 5373403
4-Trifluoromethylbenzamidoxime
CID 9581576
N'-Cyanobenzenecarboximidamide
CID 270782
p-Toluamidoxime
CID 5373151

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(fluoromethyl)benzenecarboximidamide (CID 54562036) is 4-(fluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(fluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(fluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CF)cc1.
What is the InChIKey of 4-(fluoromethyl)benzenecarboximidamide?
The InChIKey is AUFDKYGUAGUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H3,10,11).
What are the key properties of 4-(fluoromethyl)benzenecarboximidamide?
4-(fluoromethyl)benzenecarboximidamide has a molecular weight of 152.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 54562036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).