3-(trifluoromethyl)benzenecarboximidamide;hydrochloride

C8H8ClF3N2 — CID 2730243

IUPAC3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyJRWQLKZLTWPEBO-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.41
Rot. Bonds1

About 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride

3-(trifluoromethyl)benzenecarboximidamide;hydrochloride (PubChem CID 2730243) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
PubChem CID2730243
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyJRWQLKZLTWPEBO-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

3-[[3,5-difluoro-4-methyl-6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]oxy]benzenecarboximidamide
CID 11122714
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
acetic acid;3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162335740
3-sulfanylbenzenecarboximidamide
CID 69159686
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
4-aminobenzenecarboximidamide;1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 143165849
1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid;hydrochloride
CID 89388222
4-amino-3-(trifluoromethyl)benzenecarboximidamide
CID 130743439
(3E)-4-[3-(trifluoromethyl)phenyl]hexa-3,5-dien-2-imine
CID 162594183
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride (CID 2730243) is 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
The InChIKey is JRWQLKZLTWPEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2.ClH/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;/h1-4H,(H3,12,13);1H.
What are the key properties of 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride?
3-(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 3-(trifluoromethyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 2730243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).