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

C13H18F3NS — CID 156775448

IUPACN,N-dipropyl-4-(trifluoromethylsulfanyl)aniline
SMILESCCCN(CCC)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NS/c1-3-9-17(10-4-2)11-5-7-12(8-6-11)18-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKFSURFCUSYJVKV-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.92
Rot. Bonds6

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

N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline (PubChem CID 156775448) has the molecular formula C13H18F3NS and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN,N-dipropyl-4-(trifluoromethylsulfanyl)aniline
PubChem CID156775448
Molecular FormulaC13H18F3NS
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC NameN,N-dipropyl-4-(trifluoromethylsulfanyl)aniline
SMILESCCCN(CCC)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NS/c1-3-9-17(10-4-2)11-5-7-12(8-6-11)18-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3
InChIKeyKFSURFCUSYJVKV-UHFFFAOYSA-N
XLogP4.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline (CID 156775448) is N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline is CCCN(CCC)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is KFSURFCUSYJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-3-9-17(10-4-2)11-5-7-12(8-6-11)18-13(14,15)16/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline?
N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 277.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 156775448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).