2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride

C8H8ClF3N2 — CID 174920127

IUPAC2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C8H7F3N2.ClH/c1-3-5(9)2-4(8(12)13)7(11)6(3)10;/h2H,1H3,(H3,12,13);1H
InChIKeySKKNKSZDNWFZCS-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.12
Rot. Bonds1

About 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride

2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride (PubChem CID 174920127) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
PubChem CID174920127
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(F)c(C)c(F)c1F
InChIInChI=1S/C8H7F3N2.ClH/c1-3-5(9)2-4(8(12)13)7(11)6(3)10;/h2H,1H3,(H3,12,13);1H
InChIKeySKKNKSZDNWFZCS-UHFFFAOYSA-N
XLogP2.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluorobenzenecarboximidamide;hydrochloride
CID 53407269
5-amino-2,3,4-trifluorobenzenecarboximidamide
CID 83382918
2-chloro-4,5-difluorobenzenecarboximidamide;ethane
CID 145225974
4-chloro-2,3-difluorobenzenecarboximidamide
CID 174975357
4-carbamimidoyl-2-fluoro-3-methylbenzenesulfinate
CID 57193002
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
2-amino-4-fluorobenzenecarboximidamide
CID 140514748
1,2,5-trimethylpyrrole-3-carboximidamide
CID 82490393
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride?
The IUPAC name of 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride (CID 174920127) is 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(F)c(C)c(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride?
The InChIKey is SKKNKSZDNWFZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2.ClH/c1-3-5(9)2-4(8(12)13)7(11)6(3)10;/h2H,1H3,(H3,12,13);1H.
What are the key properties of 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride?
2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride has a molecular weight of 224.61 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-4-methylbenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 174920127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).