3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide

C11H14F3N3O — CID 103369562

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
SMILESCc1ccccc1NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7-4-2-3-5-9(7)16-6-8(10(15)17-18)11(12,13)14/h2-5,8,16,18H,6H2,1H3,(H2,15,17)
InChIKeyAXSFAIFRZRPZCD-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.33
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide (PubChem CID 103369562) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
PubChem CID103369562
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
SMILESCc1ccccc1NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7-4-2-3-5-9(7)16-6-8(10(15)17-18)11(12,13)14/h2-5,8,16,18H,6H2,1H3,(H2,15,17)
InChIKeyAXSFAIFRZRPZCD-UHFFFAOYSA-N
XLogP2.33
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.33
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255
2-[(4-bromo-2,6-dimethylanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369571
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylanilino)methyl]propanimidamide
CID 103369528
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-phenylethyl]amino]methyl]propanimidamide
CID 103369723
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxy-3-methylanilino)methyl]propanimidamide
CID 103369786
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxyanilino)methyl]propanimidamide
CID 103369598
3,3,3-trifluoro-N'-hydroxy-2-[[3-(trifluoromethyl)anilino]methyl]propanimidamide
CID 103369501
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylsulfanylanilino)methyl]propanimidamide
CID 103369484
N'-hydroxy-2-(2-methylanilino)ethanimidamide
CID 54379643
3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide
CID 103369932
3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide
CID 103369637
2-[(3,5-dimethoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369521

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide (CID 103369562) is 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide is Cc1ccccc1NCC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide?
The InChIKey is AXSFAIFRZRPZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-4-2-3-5-9(7)16-6-8(10(15)17-18)11(12,13)14/h2-5,8,16,18H,6H2,1H3,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide has a molecular weight of 261.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide is sourced from PubChem (CID 103369562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).