2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

C12H16F3N3O — CID 55010997

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccccc1/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(16)17-19/h3-6,19H,2,7-8H2,1H3,(H2,16,17)
InChIKeyIRRHJMKXPPYZMT-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.17
Rot. Bonds5

About 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 55010997) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID55010997
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCN(Cc1ccccc1/C(N)=N/O)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(16)17-19/h3-6,19H,2,7-8H2,1H3,(H2,16,17)
InChIKeyIRRHJMKXPPYZMT-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.17
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'}

Analyze 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
3-chloro-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666897
2-[[butyl(2-hydroxyethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 61446175
3-[[ethyl(2-methylbutyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117213
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116611
2-[[bis(cyclopropylmethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77022698
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbothioamide
CID 62894793
2-[(4-fluoro-N-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76929854
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
CID 107485874
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82982350
2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide (CID 55010997) is 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is CCN(Cc1ccccc1/C(N)=N/O)CC(F)(F)F.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is IRRHJMKXPPYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-18(8-12(13,14)15)7-9-5-3-4-6-10(9)11(16)17-19/h3-6,19H,2,7-8H2,1H3,(H2,16,17).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 275.27 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55010997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).