3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide

C10H9F6N3O — CID 103369932

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide
SMILESNC(=NO)C(CNc1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19)
InChIKeyGVDTWVWLKWOCHX-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.44
Rot. Bonds4

About 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide (PubChem CID 103369932) has the molecular formula C10H9F6N3O and a molecular weight of 301.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide
PubChem CID103369932
Molecular FormulaC10H9F6N3O
Molecular Weight301.19 g/mol
Exact Mass301.06
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide
SMILESNC(=NO)C(CNc1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19)
InChIKeyGVDTWVWLKWOCHX-UHFFFAOYSA-N
XLogP2.44
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.44
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

2-[(4-bromo-2,6-difluoroanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369919
2-[(3,5-difluoroanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369584
3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trichloroanilino)methyl]propanimidamide
CID 103369603
2-[(4-bromo-2,6-dimethylanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369571
2-[(3,5-dimethoxyanilino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369521
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylsulfanylanilino)methyl]propanimidamide
CID 103369484
3,3,3-trifluoro-N'-hydroxy-2-[[3-(trifluoromethyl)anilino]methyl]propanimidamide
CID 103369501
2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371317
3,3,3-trifluoro-N'-hydroxy-2-[(2-methylanilino)methyl]propanimidamide
CID 103369562
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-ylanilino)methyl]propanimidamide
CID 103369528
3,3,3-trifluoro-N'-hydroxy-2-[(4-propan-2-yloxyanilino)methyl]propanimidamide
CID 103369598
2-[[4-(difluoromethoxy)anilino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369607

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide (CID 103369932) is 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide is NC(=NO)C(CNc1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide?
The InChIKey is GVDTWVWLKWOCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O/c11-4-1-6(12)8(7(13)2-4)18-3-5(9(17)19-20)10(14,15)16/h1-2,5,18,20H,3H2,(H2,17,19).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(2,4,6-trifluoroanilino)methyl]propanimidamide has a molecular weight of 301.19 g/mol, XLogP of 2.44, 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-[(2,4,6-trifluoroanilino)methyl]propanimidamide is sourced from PubChem (CID 103369932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).