N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide

C8H7F3N2O2 — CID 136967966

IUPACN',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4(7(12)13-15)1-2-6(5)14/h1-3,14-15H,(H2,12,13)
InChIKeyYSKIWIFTDZCVJP-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.51
Rot. Bonds1

About N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide

N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 136967966) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID136967966
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC NameN',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4(7(12)13-15)1-2-6(5)14/h1-3,14-15H,(H2,12,13)
InChIKeyYSKIWIFTDZCVJP-UHFFFAOYSA-N
XLogP1.51
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
N'-hydroxy-4-iodo-3-(trifluoromethyl)benzenecarboximidamide
CID 154660722
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 87478935
3-fluoro-N',4-dihydroxybenzenecarboximidamide
CID 135741555
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
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
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 123403240

Frequently Asked Questions

What is the IUPAC name of N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 136967966) is N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide is N/C(=N/O)c1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is YSKIWIFTDZCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-3-4(7(12)13-15)1-2-6(5)14/h1-3,14-15H,(H2,12,13).
What are the key properties of N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide?
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 220.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 136967966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).