1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

C11H15BrF3NS — CID 79953464

IUPAC1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C11H15BrF3NS/c1-2-5-16-10(3-4-11(13,14)15)8-6-17-7-9(8)12/h6-7,10,16H,2-5H2,1H3
InChIKeyAKBORFRFNIBLLA-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.89
Rot. Bonds6

About 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 79953464) has the molecular formula C11H15BrF3NS and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID79953464
Molecular FormulaC11H15BrF3NS
Molecular Weight330.21 g/mol
Exact Mass329.01
IUPAC Name1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cscc1Br
InChIInChI=1S/C11H15BrF3NS/c1-2-5-16-10(3-4-11(13,14)15)8-6-17-7-9(8)12/h6-7,10,16H,2-5H2,1H3
InChIKeyAKBORFRFNIBLLA-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43486879
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 43486982
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43493166
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43493173
1-(2,5-dibromothiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43493267
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43497841
N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43497845
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43497924
4,4,4-trifluoro-N-methyl-1-thiophen-3-ylbutan-1-amine
CID 64567206
N-ethyl-4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567207
4,4,4-trifluoro-N-propyl-1-thiophen-3-ylbutan-1-amine
CID 64567208
3,3,3-trifluoro-N-methyl-1-thiophen-3-ylpropan-1-amine
CID 65104675

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 79953464) is 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cscc1Br.
What is the InChIKey of 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is AKBORFRFNIBLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NS/c1-2-5-16-10(3-4-11(13,14)15)8-6-17-7-9(8)12/h6-7,10,16H,2-5H2,1H3.
What are the key properties of 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 330.21 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-3-yl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 79953464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).