N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide

C12H15F4N3O2 — CID 106293172

IUPACN'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1CNCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O2/c1-21-9-3-2-7(10(17)19-20)4-8(9)5-18-6-12(15,16)11(13)14/h2-4,11,18,20H,5-6H2,1H3,(H2,17,19)
InChIKeyAWXLDGXPPOFQKZ-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.78
Rot. Bonds7

About N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide

N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide (PubChem CID 106293172) has the molecular formula C12H15F4N3O2 and a molecular weight of 309.26 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
PubChem CID106293172
Molecular FormulaC12H15F4N3O2
Molecular Weight309.26 g/mol
Exact Mass309.11
IUPAC NameN'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)cc1CNCC(F)(F)C(F)F
InChIInChI=1S/C12H15F4N3O2/c1-21-9-3-2-7(10(17)19-20)4-8(9)5-18-6-12(15,16)11(13)14/h2-4,11,18,20H,5-6H2,1H3,(H2,17,19)
InChIKeyAWXLDGXPPOFQKZ-UHFFFAOYSA-N
XLogP1.78
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.78
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 103461984
3-fluoro-N'-hydroxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide
CID 106293141
N'-hydroxy-3-[[(5-hydroxy-4-methylpentyl)amino]methyl]-4-methoxybenzenecarboximidamide
CID 106161740
N'-hydroxy-4-methoxy-3-[(pent-4-ynylamino)methyl]benzenecarboximidamide
CID 106222338
N'-hydroxy-3-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]-4-methoxybenzenecarboximidamide
CID 107865898
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293675
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
4-ethoxy-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 6014558
3-(2-cyclobutylethoxymethyl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 106202006
5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106177194
3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]benzenecarboximidamide
CID 115360512

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide (CID 106293172) is N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide is COc1ccc(/C(N)=N/O)cc1CNCC(F)(F)C(F)F.
What is the InChIKey of N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide?
The InChIKey is AWXLDGXPPOFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N3O2/c1-21-9-3-2-7(10(17)19-20)4-8(9)5-18-6-12(15,16)11(13)14/h2-4,11,18,20H,5-6H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide?
N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide has a molecular weight of 309.26 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-3-[(2,2,3,3-tetrafluoropropylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 106293172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).