4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine

C8H10F3NS2 — CID 43753393

IUPAC4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine
SMILESNCCC(Sc1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NS2/c9-8(10,11)6(3-4-12)14-7-2-1-5-13-7/h1-2,5-6H,3-4,12H2
InChIKeyNGHDCGMNVSBGCP-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds4

About 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine

4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine (PubChem CID 43753393) has the molecular formula C8H10F3NS2 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine
PubChem CID43753393
Molecular FormulaC8H10F3NS2
Molecular Weight241.30 g/mol
Exact Mass241.02
IUPAC Name4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine
SMILESNCCC(Sc1cccs1)C(F)(F)F
InChIInChI=1S/C8H10F3NS2/c9-8(10,11)6(3-4-12)14-7-2-1-5-13-7/h1-2,5-6H,3-4,12H2
InChIKeyNGHDCGMNVSBGCP-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine (CID 43753393) is 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine is NCCC(Sc1cccs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine?
The InChIKey is NGHDCGMNVSBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS2/c9-8(10,11)6(3-4-12)14-7-2-1-5-13-7/h1-2,5-6H,3-4,12H2.
What are the key properties of 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine?
4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-thiophen-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 43753393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).