4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide

C12H16F2N2OS — CID 77062416

IUPAC4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSc1ccc(F)cc1F)C(N)=NO
InChIInChI=1S/C12H16F2N2OS/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(13)7-9(10)14/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16)
InChIKeyAMUFZDXVBQITTQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.22
Rot. Bonds5

About 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide

4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062416) has the molecular formula C12H16F2N2OS and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062416
Molecular FormulaC12H16F2N2OS
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCSc1ccc(F)cc1F)C(N)=NO
InChIInChI=1S/C12H16F2N2OS/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(13)7-9(10)14/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16)
InChIKeyAMUFZDXVBQITTQ-UHFFFAOYSA-N
XLogP3.22
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.22
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

5-(2,5-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063344
4-(2,4-difluorophenyl)sulfanyl-2,2-dimethylbutanoic acid
CID 65253692
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
4-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64821724
2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103371317
4-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062624
6-(2,4-dimethylphenyl)sulfanyl-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106712686
3-(2,4-difluorophenyl)sulfanylpropanimidamide
CID 43345486
6-(2-chloro-4-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711821

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062416) is 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCSc1ccc(F)cc1F)C(N)=NO.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is AMUFZDXVBQITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2OS/c1-12(2,11(15)16-17)5-6-18-10-4-3-8(13)7-9(10)14/h3-4,7,17H,5-6H2,1-2H3,(H2,15,16).
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide?
4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 274.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).