3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine

C7H8F3NS2 — CID 43753036

IUPAC3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1cccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NS2/c8-7(9,10)5(4-11)13-6-2-1-3-12-6/h1-3,5H,4,11H2
InChIKeyDAICUCPALARXHD-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.73
Rot. Bonds3

About 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine

3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine (PubChem CID 43753036) has the molecular formula C7H8F3NS2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine
PubChem CID43753036
Molecular FormulaC7H8F3NS2
Molecular Weight227.28 g/mol
Exact Mass227.01
IUPAC Name3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine
SMILESNCC(Sc1cccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NS2/c8-7(9,10)5(4-11)13-6-2-1-3-12-6/h1-3,5H,4,11H2
InChIKeyDAICUCPALARXHD-UHFFFAOYSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine (CID 43753036) is 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine is NCC(Sc1cccs1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine?
The InChIKey is DAICUCPALARXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS2/c8-7(9,10)5(4-11)13-6-2-1-3-12-6/h1-3,5H,4,11H2.
What are the key properties of 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine?
3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-thiophen-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 43753036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).