N-methyl-N-(trifluoromethylsulfanyl)aniline

C8H8F3NS — CID 25013449

IUPACN-methyl-N-(trifluoromethylsulfanyl)aniline
SMILESCN(SC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyTYFGNILTFVMYGX-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.29
Rot. Bonds2

About N-methyl-N-(trifluoromethylsulfanyl)aniline

N-methyl-N-(trifluoromethylsulfanyl)aniline (PubChem CID 25013449) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is N-methyl-N-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(trifluoromethylsulfanyl)aniline
PubChem CID25013449
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC NameN-methyl-N-(trifluoromethylsulfanyl)aniline
SMILESCN(SC(F)(F)F)c1ccccc1
InChIInChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyTYFGNILTFVMYGX-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-methyl-N-(trifluoromethylsulfanyl)aniline (CID 25013449) is N-methyl-N-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-methyl-N-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-methyl-N-(trifluoromethylsulfanyl)aniline is CN(SC(F)(F)F)c1ccccc1.
What is the InChIKey of N-methyl-N-(trifluoromethylsulfanyl)aniline?
The InChIKey is TYFGNILTFVMYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-12(13-8(9,10)11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-methyl-N-(trifluoromethylsulfanyl)aniline?
N-methyl-N-(trifluoromethylsulfanyl)aniline has a molecular weight of 207.22 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 25013449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).