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

C11H16F3NS — CID 62604454

IUPAC4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine
SMILESCCCNC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C11H16F3NS/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3
InChIKeyKJJHDLBXTKTYGG-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.61
Rot. Bonds6

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

4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 62604454) 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-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine
PubChem CID62604454
Molecular FormulaC11H16F3NS
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine
SMILESCCCNC(Cc1ccsc1)CC(F)(F)F
InChIInChI=1S/C11H16F3NS/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3
InChIKeyKJJHDLBXTKTYGG-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine (CID 62604454) is 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine is CCCNC(Cc1ccsc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is KJJHDLBXTKTYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NS/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine?
4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 251.32 g/mol, XLogP of 3.61, 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-2-amine is sourced from PubChem (CID 62604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).