N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide

C9H6F6N2O — CID 2736103

IUPACN'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17)
InChIKeyGGAPMNUHESBFNK-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.82
Rot. Bonds1

About N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide (PubChem CID 2736103) has the molecular formula C9H6F6N2O and a molecular weight of 272.15 g/mol. Its IUPAC name is N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
PubChem CID2736103
Molecular FormulaC9H6F6N2O
Molecular Weight272.15 g/mol
Exact Mass272.04
IUPAC NameN'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17)
InChIKeyGGAPMNUHESBFNK-UHFFFAOYSA-N
XLogP2.82
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.82
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide (CID 2736103) is N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide is NC(=NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide?
The InChIKey is GGAPMNUHESBFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O/c10-8(11,12)5-1-4(7(16)17-18)2-6(3-5)9(13,14)15/h1-3,18H,(H2,16,17).
What are the key properties of N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide has a molecular weight of 272.15 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 2736103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).