3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine

C10H12F3NS — CID 53434465

IUPAC3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESNCCCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKeyGSXKJGCIFIOWAB-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.19
Rot. Bonds4

About 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine

3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine (PubChem CID 53434465) has the molecular formula C10H12F3NS and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
PubChem CID53434465
Molecular FormulaC10H12F3NS
Molecular Weight235.27 g/mol
Exact Mass235.06
IUPAC Name3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
SMILESNCCCc1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NS/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2
InChIKeyGSXKJGCIFIOWAB-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The IUPAC name of 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine (CID 53434465) is 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine is NCCCc1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
The InChIKey is GSXKJGCIFIOWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NS/c11-10(12,13)15-9-5-3-8(4-6-9)2-1-7-14/h3-6H,1-2,7,14H2.
What are the key properties of 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine?
3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine is sourced from PubChem (CID 53434465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).