N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide

C11H14F3N3O — CID 60890806

IUPACN'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1cccc(/C(N)=N/O)c1)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-17(7-11(12,13)14)6-8-3-2-4-9(5-8)10(15)16-18/h2-5,18H,6-7H2,1H3,(H2,15,16)
InChIKeyRWGNUYQKTNLXGV-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.78
Rot. Bonds4

About N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide (PubChem CID 60890806) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
PubChem CID60890806
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
SMILESCN(Cc1cccc(/C(N)=N/O)c1)CC(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-17(7-11(12,13)14)6-8-3-2-4-9(5-8)10(15)16-18/h2-5,18H,6-7H2,1H3,(H2,15,16)
InChIKeyRWGNUYQKTNLXGV-UHFFFAOYSA-N
XLogP1.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
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

N'-Hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 5375731
3-Methylbenzamidoxime
CID 9580378
3,5-Bis(trifluoromethyl)benzamidoxime
CID 7330429
3-(Trifluoromethyl)benzamidoxime
CID 9582165
N'-hydroxy-3-(trifluoromethyl)benzamidine
CID 609330
N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide
CID 2736103
[3,5-Bis(trifluoromethyl)phenyl](hydroxyimino)methylamine
CID 5702807
N'-hydroxy-N,N-dimethylbenzenecarboximidamide
CID 5969721
N'-hydroxy-3-methylbenzimidamide
CID 591591
(Hydroxyimino)(3-methylphenyl)methylamine
CID 5373152
N'-hydroxy-3-(piperidin-1-ylmethyl)benzene-1-carboximidamide
CID 24698176
N'-hydroxy-3-[(piperidin-1-yl)methyl]benzene-1-carboximidamide
CID 57368829

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide (CID 60890806) is N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide is CN(Cc1cccc(/C(N)=N/O)c1)CC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is RWGNUYQKTNLXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17(7-11(12,13)14)6-8-3-2-4-9(5-8)10(15)16-18/h2-5,18H,6-7H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 261.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 60890806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).