2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H12F3NS2 — CID 62578597

IUPAC2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1cccs1
InChIInChI=1S/C9H12F3NS2/c1-7(5-13-6-9(10,11)12)15-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyJQOPMTZAKRBOOJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.38
Rot. Bonds5

About 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62578597) has the molecular formula C9H12F3NS2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62578597
Molecular FormulaC9H12F3NS2
Molecular Weight255.33 g/mol
Exact Mass255.04
IUPAC Name2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Sc1cccs1
InChIInChI=1S/C9H12F3NS2/c1-7(5-13-6-9(10,11)12)15-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyJQOPMTZAKRBOOJ-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62578597) is 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Sc1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JQOPMTZAKRBOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS2/c1-7(5-13-6-9(10,11)12)15-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62578597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).