N-benzyl-4-(trifluoromethylsulfanyl)aniline

C14H12F3NS — CID 43230121

IUPACN-benzyl-4-(trifluoromethylsulfanyl)aniline
SMILESFC(F)(F)Sc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H12F3NS/c15-14(16,17)19-13-8-6-12(7-9-13)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyNPAORROXZMAKEM-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.91
Rot. Bonds4

About N-benzyl-4-(trifluoromethylsulfanyl)aniline

N-benzyl-4-(trifluoromethylsulfanyl)aniline (PubChem CID 43230121) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is N-benzyl-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-benzyl-4-(trifluoromethylsulfanyl)aniline
PubChem CID43230121
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC NameN-benzyl-4-(trifluoromethylsulfanyl)aniline
SMILESFC(F)(F)Sc1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C14H12F3NS/c15-14(16,17)19-13-8-6-12(7-9-13)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyNPAORROXZMAKEM-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-benzyl-4-(trifluoromethylsulfanyl)aniline (CID 43230121) is N-benzyl-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-benzyl-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-benzyl-4-(trifluoromethylsulfanyl)aniline is FC(F)(F)Sc1ccc(NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is NPAORROXZMAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c15-14(16,17)19-13-8-6-12(7-9-13)18-10-11-4-2-1-3-5-11/h1-9,18H,10H2.
What are the key properties of N-benzyl-4-(trifluoromethylsulfanyl)aniline?
N-benzyl-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 283.32 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43230121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).