N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide

C11H13F3N2O — CID 149151725

IUPACN'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
SMILESCC(C)(c1ccc(/C(N)=N\O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-10(2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16)
InChIKeyRGCYXMCTRZJYNJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.62
Rot. Bonds2

About N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide

N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide (PubChem CID 149151725) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
PubChem CID149151725
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide
SMILESCC(C)(c1ccc(/C(N)=N\O)cc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c1-10(2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16)
InChIKeyRGCYXMCTRZJYNJ-UHFFFAOYSA-N
XLogP2.62
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.62
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-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide (CID 149151725) is N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide is CC(C)(c1ccc(/C(N)=N\O)cc1)C(F)(F)F.
What is the InChIKey of N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide?
The InChIKey is RGCYXMCTRZJYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-10(2,11(12,13)14)8-5-3-7(4-6-8)9(15)16-17/h3-6,17H,1-2H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide?
N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide has a molecular weight of 246.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenecarboximidamide is sourced from PubChem (CID 149151725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).