2-fluorobenzenecarboximidamide;hydrochloride

C7H8ClFN2 — CID 11715262

IUPAC2-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1F
InChIInChI=1S/C7H7FN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyVCDJPGDATCBGMF-UHFFFAOYSA-N
MW174.61 g/mol
LogP1.53
Rot. Bonds1

About 2-fluorobenzenecarboximidamide;hydrochloride

2-fluorobenzenecarboximidamide;hydrochloride (PubChem CID 11715262) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is 2-fluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-fluorobenzenecarboximidamide;hydrochloride
PubChem CID11715262
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name2-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1F
InChIInChI=1S/C7H7FN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyVCDJPGDATCBGMF-UHFFFAOYSA-N
XLogP1.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 51.53
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-fluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-fluorobenzenecarboximidamide;hydrochloride (CID 11715262) is 2-fluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-fluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-fluorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1F.
What is the InChIKey of 2-fluorobenzenecarboximidamide;hydrochloride?
The InChIKey is VCDJPGDATCBGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2.ClH/c8-6-4-2-1-3-5(6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of 2-fluorobenzenecarboximidamide;hydrochloride?
2-fluorobenzenecarboximidamide;hydrochloride has a molecular weight of 174.61 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 11715262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).