2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C10H9F5N2OS — CID 103371317

IUPAC2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(CSc1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C10H9F5N2OS/c11-5-1-2-8(7(12)3-5)19-4-6(9(16)17-18)10(13,14)15/h1-3,6,18H,4H2,(H2,16,17)
InChIKeyMRFMBMMMMCHAPG-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.98
Rot. Bonds4

About 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103371317) has the molecular formula C10H9F5N2OS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103371317
Molecular FormulaC10H9F5N2OS
Molecular Weight300.25 g/mol
Exact Mass300.04
IUPAC Name2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESN/C(=N/O)C(CSc1ccc(F)cc1F)C(F)(F)F
InChIInChI=1S/C10H9F5N2OS/c11-5-1-2-8(7(12)3-5)19-4-6(9(16)17-18)10(13,14)15/h1-3,6,18H,4H2,(H2,16,17)
InChIKeyMRFMBMMMMCHAPG-UHFFFAOYSA-N
XLogP2.98
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.98
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-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103371317) is 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is N/C(=N/O)C(CSc1ccc(F)cc1F)C(F)(F)F.
What is the InChIKey of 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is MRFMBMMMMCHAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2OS/c11-5-1-2-8(7(12)3-5)19-4-6(9(16)17-18)10(13,14)15/h1-3,6,18H,4H2,(H2,16,17).
What are the key properties of 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 300.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)sulfanylmethyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103371317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).