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

C8H10F3NS — CID 62604082

IUPAC4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine
SMILESNC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C8H10F3NS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2
InChIKeyKEGULFIWLZEGLK-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.57
Rot. Bonds3

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

4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine (PubChem CID 62604082) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine
PubChem CID62604082
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine
SMILESNC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C8H10F3NS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2
InChIKeyKEGULFIWLZEGLK-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine (CID 62604082) is 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine is NC(Cc1ccsc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine?
The InChIKey is KEGULFIWLZEGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2.
What are the key properties of 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine?
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine has a molecular weight of 209.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 62604082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).