N-methyl-2-(trifluoromethylsulfanyl)aniline

C8H8F3NS — CID 59454400

IUPACN-methyl-2-(trifluoromethylsulfanyl)aniline
SMILESCNc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NS/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3
InChIKeyVMYZJTLPXWPEMX-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.34
Rot. Bonds2

About N-methyl-2-(trifluoromethylsulfanyl)aniline

N-methyl-2-(trifluoromethylsulfanyl)aniline (PubChem CID 59454400) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethylsulfanyl)aniline
PubChem CID59454400
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC NameN-methyl-2-(trifluoromethylsulfanyl)aniline
SMILESCNc1ccccc1SC(F)(F)F
InChIInChI=1S/C8H8F3NS/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3
InChIKeyVMYZJTLPXWPEMX-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-methyl-2-(trifluoromethylsulfanyl)aniline (CID 59454400) is N-methyl-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-methyl-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-methyl-2-(trifluoromethylsulfanyl)aniline is CNc1ccccc1SC(F)(F)F.
What is the InChIKey of N-methyl-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is VMYZJTLPXWPEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3.
What are the key properties of N-methyl-2-(trifluoromethylsulfanyl)aniline?
N-methyl-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 207.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 59454400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).