N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline

C9H10F3NS — CID 21439340

IUPACN,N-dimethyl-4-(trifluoromethylsulfanyl)aniline
SMILESCN(C)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NS/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyMDGKYHTVVJPJEP-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.36
Rot. Bonds2

About N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline

N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline (PubChem CID 21439340) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-(trifluoromethylsulfanyl)aniline
PubChem CID21439340
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC NameN,N-dimethyl-4-(trifluoromethylsulfanyl)aniline
SMILESCN(C)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NS/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3
InChIKeyMDGKYHTVVJPJEP-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline (CID 21439340) is N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline is CN(C)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is MDGKYHTVVJPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-13(2)7-3-5-8(6-4-7)14-9(10,11)12/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline?
N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 221.25 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 21439340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).