[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate

C9H8F3NO3S — CID 15476399

IUPAC[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c1-17(14,15)16-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3/b13-8-
InChIKeyXWZJATUDGDKYGK-JYRVWZFOSA-N
MW267.23 g/mol
LogP1.93
Rot. Bonds3

About [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate

[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate (PubChem CID 15476399) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate.

Molecular Properties

Compound Name[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate
PubChem CID15476399
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate
SMILESCS(=O)(=O)O/N=C(/c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H8F3NO3S/c1-17(14,15)16-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3/b13-8-
InChIKeyXWZJATUDGDKYGK-JYRVWZFOSA-N
XLogP1.93
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate 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 [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate?
The IUPAC name of [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate (CID 15476399) is [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate.
What is the SMILES notation for [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate?
The canonical SMILES for [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate is CS(=O)(=O)O/N=C(/c1ccccc1)C(F)(F)F.
What is the InChIKey of [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate?
The InChIKey is XWZJATUDGDKYGK-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-17(14,15)16-13-8(9(10,11)12)7-5-3-2-4-6-7/h2-6H,1H3/b13-8-.
What are the key properties of [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate?
[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate has a molecular weight of 267.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino] methanesulfonate is sourced from PubChem (CID 15476399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).