4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine

C15H17F4NS — CID 104992759

IUPAC4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17F4NS/c1-2-7-20-12(5-6-15(17,18)19)14-8-10-3-4-11(16)9-13(10)21-14/h3-4,8-9,12,20H,2,5-7H2,1H3
InChIKeyJLPRIQCMAOKRHP-UHFFFAOYSA-N
MW319.37 g/mol
LogP5.42
Rot. Bonds6

About 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 104992759) has the molecular formula C15H17F4NS and a molecular weight of 319.37 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
PubChem CID104992759
Molecular FormulaC15H17F4NS
Molecular Weight319.37 g/mol
Exact Mass319.10
IUPAC Name4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cc2ccc(F)cc2s1
InChIInChI=1S/C15H17F4NS/c1-2-7-20-12(5-6-15(17,18)19)14-8-10-3-4-11(16)9-13(10)21-14/h3-4,8-9,12,20H,2,5-7H2,1H3
InChIKeyJLPRIQCMAOKRHP-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-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

N-ethyl-4,4,4-trifluoro-1-(5-fluoro-1-benzothiophen-2-yl)butan-1-amine
CID 105156465
N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039626
N-[1-(6-fluoro-1-benzothiophen-2-yl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 81115344
1-(6-fluoro-1-benzothiophen-2-yl)pentylhydrazine
CID 105293758
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyloctan-1-amine
CID 115832398
1-(1-benzothiophen-2-yl)-N-propylbutan-1-amine
CID 115778262
1-(2-bromo-4-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992612
1-(6-fluoro-1-benzothiophen-2-yl)nonylhydrazine
CID 105294406
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
N-[2,3-dihydrofuran-5-yl-(6-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 102653288
N-[(6-fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858572
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992831

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine (CID 104992759) is 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cc2ccc(F)cc2s1.
What is the InChIKey of 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is JLPRIQCMAOKRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NS/c1-2-7-20-12(5-6-15(17,18)19)14-8-10-3-4-11(16)9-13(10)21-14/h3-4,8-9,12,20H,2,5-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 319.37 g/mol, XLogP of 5.42, 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-1-(6-fluoro-1-benzothiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104992759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).