2-(trifluoromethyl)benzenecarboximidamide;hydrochloride

C8H8ClF3N2 — CID 42614308

IUPAC2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyXGVJIKBARHCQHE-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.41
Rot. Bonds1

About 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride

2-(trifluoromethyl)benzenecarboximidamide;hydrochloride (PubChem CID 42614308) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
PubChem CID42614308
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyXGVJIKBARHCQHE-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 62200669
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
2-bromo-4-[2-(trifluoromethyl)phenoxy]benzenecarboximidamide
CID 107279513
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride (CID 42614308) is 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The InChIKey is XGVJIKBARHCQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H.
What are the key properties of 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride has a molecular weight of 224.61 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 42614308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).