2-fluoro-4-methylbenzenecarboximidamide;hydrochloride

C8H10ClFN2 — CID 155971038

IUPAC2-fluoro-4-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C)cc1F
InChIInChI=1S/C8H9FN2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h2-4H,1H3,(H3,10,11);1H
InChIKeyDWARPACMIKJAPU-UHFFFAOYSA-N
MW188.63 g/mol
LogP1.84
Rot. Bonds1

About 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride

2-fluoro-4-methylbenzenecarboximidamide;hydrochloride (PubChem CID 155971038) has the molecular formula C8H10ClFN2 and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-methylbenzenecarboximidamide;hydrochloride
PubChem CID155971038
Molecular FormulaC8H10ClFN2
Molecular Weight188.63 g/mol
Exact Mass188.05
IUPAC Name2-fluoro-4-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(C)cc1F
InChIInChI=1S/C8H9FN2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h2-4H,1H3,(H3,10,11);1H
InChIKeyDWARPACMIKJAPU-UHFFFAOYSA-N
XLogP1.84
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 51.84
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

CID 80289
CID 80289
CID 2332
CID 2332
CID 5351747
CID 5351747
CID 16219042
CID 16219042
CID 2777390
CID 2777390
CID 5373403
CID 5373403
CID 9581576
CID 9581576
CID 444655
CID 444655
CID 122753
CID 122753
CID 609329
CID 609329
CID 5375730
CID 5375730
CID 2756473
CID 2756473

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride (CID 155971038) is 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is DWARPACMIKJAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2.ClH/c1-5-2-3-6(8(10)11)7(9)4-5;/h2-4H,1H3,(H3,10,11);1H.
What are the key properties of 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride?
2-fluoro-4-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 188.63 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 155971038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).