N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine

C8H5F3INS — CID 171931587

IUPACN-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccc(C=NI)cc1
InChIInChI=1S/C8H5F3INS/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-5H
InChIKeyYNWIGJMEBQWLHD-UHFFFAOYSA-N
MW331.10 g/mol
LogP4.07
Rot. Bonds2

About N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine

N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine (PubChem CID 171931587) has the molecular formula C8H5F3INS and a molecular weight of 331.10 g/mol. Its IUPAC name is N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine.

Molecular Properties

Compound NameN-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
PubChem CID171931587
Molecular FormulaC8H5F3INS
Molecular Weight331.10 g/mol
Exact Mass330.91
IUPAC NameN-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine
SMILESFC(F)(F)Sc1ccc(C=NI)cc1
InChIInChI=1S/C8H5F3INS/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-5H
InChIKeyYNWIGJMEBQWLHD-UHFFFAOYSA-N
XLogP4.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.10
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The IUPAC name of N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine (CID 171931587) is N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine.
What is the SMILES notation for N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The canonical SMILES for N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine is FC(F)(F)Sc1ccc(C=NI)cc1.
What is the InChIKey of N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
The InChIKey is YNWIGJMEBQWLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3INS/c9-8(10,11)14-7-3-1-6(2-4-7)5-13-12/h1-5H.
What are the key properties of N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine?
N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine has a molecular weight of 331.10 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-[4-(trifluoromethylsulfanyl)phenyl]methanimine is sourced from PubChem (CID 171931587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).