N-propyl-4-(trifluoromethylsulfanyl)aniline

C10H12F3NS — CID 43720549

IUPACN-propyl-4-(trifluoromethylsulfanyl)aniline
SMILESCCCNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUFOBNDVHDUGOQS-UHFFFAOYSA-N
MW235.27 g/mol
LogP4.12
Rot. Bonds4

About N-propyl-4-(trifluoromethylsulfanyl)aniline

N-propyl-4-(trifluoromethylsulfanyl)aniline (PubChem CID 43720549) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is N-propyl-4-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound NameN-propyl-4-(trifluoromethylsulfanyl)aniline
PubChem CID43720549
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC NameN-propyl-4-(trifluoromethylsulfanyl)aniline
SMILESCCCNc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUFOBNDVHDUGOQS-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(trifluoromethylsulfanyl)aniline?
The IUPAC name of N-propyl-4-(trifluoromethylsulfanyl)aniline (CID 43720549) is N-propyl-4-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for N-propyl-4-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for N-propyl-4-(trifluoromethylsulfanyl)aniline is CCCNc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-propyl-4-(trifluoromethylsulfanyl)aniline?
The InChIKey is UFOBNDVHDUGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c1-2-7-14-8-3-5-9(6-4-8)15-10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-propyl-4-(trifluoromethylsulfanyl)aniline?
N-propyl-4-(trifluoromethylsulfanyl)aniline has a molecular weight of 235.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 43720549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).