N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide

C10H11F3N2O3 — CID 24695782

IUPACN'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-17-8-4-6(9(14)15-16)2-3-7(8)18-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15)
InChIKeyJQQNFIMFSPNTOT-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.73
Rot. Bonds4

About N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide

N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide (PubChem CID 24695782) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
PubChem CID24695782
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC NameN'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILESCOc1cc(/C(N)=N/O)ccc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O3/c1-17-8-4-6(9(14)15-16)2-3-7(8)18-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15)
InChIKeyJQQNFIMFSPNTOT-UHFFFAOYSA-N
XLogP1.73
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide (CID 24695782) is N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide is COc1cc(/C(N)=N/O)ccc1OCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The InChIKey is JQQNFIMFSPNTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-17-8-4-6(9(14)15-16)2-3-7(8)18-5-10(11,12)13/h2-4,16H,5H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide has a molecular weight of 264.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide is sourced from PubChem (CID 24695782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).