4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C8H6BrF3N2O — CID 154405509

IUPAC4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H6BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,15H,(H2,13,14)
InChIKeyHBYSWPGIFNXVFX-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.56
Rot. Bonds1

About 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 154405509) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID154405509
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC Name4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H6BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,15H,(H2,13,14)
InChIKeyHBYSWPGIFNXVFX-UHFFFAOYSA-N
XLogP2.56
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.56
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
N'-hydroxy-4-iodo-3-(trifluoromethyl)benzenecarboximidamide
CID 154660722
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 87478935
3-bromo-4-fluoro-N'-hydroxybenzenecarboximidamide
CID 2756972
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 166763610
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
4-[2-(4-butylphenyl)ethyl]-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 121256791
1-[4-bromo-3-(trifluoromethyl)phenyl]-2,2-difluoroethanone
CID 130137126

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 154405509) is 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is NC(=NO)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is HBYSWPGIFNXVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,15H,(H2,13,14).
What are the key properties of 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 283.05 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 154405509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).