4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine

C11H16F3NS — CID 64567208

IUPAC4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C11H16F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3
InChIKeyIMMGNXWAYLVHPQ-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.13
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine

4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine (PubChem CID 64567208) has the molecular formula C11H16F3NS and a molecular weight of 251.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine
PubChem CID64567208
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccsc1
InChIInChI=1S/C11H16F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3
InChIKeyIMMGNXWAYLVHPQ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.13
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-N-propyl-1-thiophen-3-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine (CID 64567208) is 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ccsc1.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine?
The InChIKey is IMMGNXWAYLVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine?
4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine has a molecular weight of 251.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine is sourced from PubChem (CID 64567208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).