N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride

C9H6Cl2F3NS — CID 18930385

IUPACN-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride
SMILESFC(F)(F)S/C(Cl)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2F3NS/c10-7-3-1-6(2-4-7)5-15-8(11)16-9(12,13)14/h1-4H,5H2/b15-8+
InChIKeyQGTNXORERHJDJP-OVCLIPMQSA-N
MW288.12 g/mol
LogP4.69
Rot. Bonds2

About N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride

N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride (PubChem CID 18930385) has the molecular formula C9H6Cl2F3NS and a molecular weight of 288.12 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride
PubChem CID18930385
Molecular FormulaC9H6Cl2F3NS
Molecular Weight288.12 g/mol
Exact Mass286.96
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride
SMILESFC(F)(F)S/C(Cl)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2F3NS/c10-7-3-1-6(2-4-7)5-15-8(11)16-9(12,13)14/h1-4H,5H2/b15-8+
InChIKeyQGTNXORERHJDJP-OVCLIPMQSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride (CID 18930385) is N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride is FC(F)(F)S/C(Cl)=N/Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride?
The InChIKey is QGTNXORERHJDJP-OVCLIPMQSA-N. The full InChI is InChI=1S/C9H6Cl2F3NS/c10-7-3-1-6(2-4-7)5-15-8(11)16-9(12,13)14/h1-4H,5H2/b15-8+.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride?
N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride has a molecular weight of 288.12 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(trifluoromethylsulfanyl)methanimidoyl chloride is sourced from PubChem (CID 18930385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).