2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride

C8H8ClF3N2O — CID 21250688

IUPAC2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O.ClH/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyRTWUEKKBEVKNHU-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.29
Rot. Bonds2

About 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride

2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride (PubChem CID 21250688) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
PubChem CID21250688
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O.ClH/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H
InChIKeyRTWUEKKBEVKNHU-UHFFFAOYSA-N
XLogP2.29
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
CID 86295020
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-(2-methoxyphenoxy)benzenecarboximidamide
CID 28601438
2-prop-2-enoxybenzenecarboximidamide;hydrochloride
CID 22462384
2-(2-bromophenoxy)benzenecarboximidamide
CID 28601496
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
[[2-(trifluoromethoxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 141176315
2-(2-ethylphenoxy)benzenecarboximidamide
CID 43364301

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride (CID 21250688) is 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride?
The InChIKey is RTWUEKKBEVKNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O.ClH/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13;/h1-4H,(H3,12,13);1H.
What are the key properties of 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride?
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride has a molecular weight of 240.61 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 21250688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).