2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine

C11H10F3NS — CID 117120682

IUPAC2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine
SMILESNCCc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3NS/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6H,3-4,15H2
InChIKeyQCYLDRUJJLAUMP-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.42
Rot. Bonds2

About 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine

2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine (PubChem CID 117120682) has the molecular formula C11H10F3NS and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine
PubChem CID117120682
Molecular FormulaC11H10F3NS
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine
SMILESNCCc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H10F3NS/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6H,3-4,15H2
InChIKeyQCYLDRUJJLAUMP-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzo(B)Thiophen-3-Ylmethylamine
CID 2776347
Benzo[b]thiophene-3-ethanamine
CID 26743
1-Benzothiophen-5-ylmethylamine
CID 2795448
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
2-(1-Benzothiophen-2-yl)ethan-1-amine
CID 12666893
2-(2-Phenyl-1-benzothiophen-3-yl)ethanamine
CID 12412185
5-Fluoro-2-phenylbenzo[b]thiophene-3-ethanamine
CID 12412187
(5-Tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
Benzo(b)thiophene-3-ethylamine, N-methyl-
CID 40599
Benzo(b)thiophene-3-ethylamine, 5-methyl-, hydrochloride
CID 210010
N-methyl-2-(5-methyl-1-benzothien-3-yl)ethanamine
CID 31579
(5-Fluoro-1-benzothiophen-2-yl)methanamine
CID 39869113

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine?
The IUPAC name of 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine (CID 117120682) is 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine is NCCc1csc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine?
The InChIKey is QCYLDRUJJLAUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6H,3-4,15H2.
What are the key properties of 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine?
2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine has a molecular weight of 245.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1-benzothiophen-3-yl]ethanamine is sourced from PubChem (CID 117120682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).