5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

C16H24F3NS — CID 105023983

IUPAC5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H24F3NS/c1-2-10-20-13(7-5-9-16(17,18)19)15-11-12-6-3-4-8-14(12)21-15/h11,13,20H,2-10H2,1H3
InChIKeyMKQZEPZXKZNUCE-UHFFFAOYSA-N
MW319.44 g/mol
LogP5.40
Rot. Bonds7

About 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine

5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (PubChem CID 105023983) has the molecular formula C16H24F3NS and a molecular weight of 319.44 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
PubChem CID105023983
Molecular FormulaC16H24F3NS
Molecular Weight319.44 g/mol
Exact Mass319.16
IUPAC Name5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H24F3NS/c1-2-10-20-13(7-5-9-16(17,18)19)15-11-12-6-3-4-8-14(12)21-15/h11,13,20H,2-10H2,1H3
InChIKeyMKQZEPZXKZNUCE-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine (CID 105023983) is 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is CCCNC(CCCC(F)(F)F)c1cc2c(s1)CCCC2.
What is the InChIKey of 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
The InChIKey is MKQZEPZXKZNUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NS/c1-2-10-20-13(7-5-9-16(17,18)19)15-11-12-6-3-4-8-14(12)21-15/h11,13,20H,2-10H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine?
5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine has a molecular weight of 319.44 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-propyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-amine is sourced from PubChem (CID 105023983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).