N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline

C9H10F3NS — CID 63091072

IUPACN-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCNc1ccccc1SCC(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-13-7-4-2-3-5-8(7)14-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyIGMQKQYVWYHBPU-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.38
Rot. Bonds3

About N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 63091072) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID63091072
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCNc1ccccc1SCC(F)(F)F
InChIInChI=1S/C9H10F3NS/c1-13-7-4-2-3-5-8(7)14-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyIGMQKQYVWYHBPU-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 112573492
N-[(2-methylphenyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43426079
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
N-(3,5-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 64751545
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
(2S)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61180010

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 63091072) is N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline is CNc1ccccc1SCC(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is IGMQKQYVWYHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-13-7-4-2-3-5-8(7)14-6-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 221.25 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 63091072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).