2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline

C18H18FNOS — CID 46947355

IUPAC2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1cc2ccc(OCCF)cc2s1
InChIInChI=1S/C18H18FNOS/c1-20(2)16-6-4-3-5-15(16)18-11-13-7-8-14(21-10-9-19)12-17(13)22-18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyIRLPBKINLIZUTH-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.98
Rot. Bonds5

About 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline

2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline (PubChem CID 46947355) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline
PubChem CID46947355
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1-c1cc2ccc(OCCF)cc2s1
InChIInChI=1S/C18H18FNOS/c1-20(2)16-6-4-3-5-15(16)18-11-13-7-8-14(21-10-9-19)12-17(13)22-18/h3-8,11-12H,9-10H2,1-2H3
InChIKeyIRLPBKINLIZUTH-UHFFFAOYSA-N
XLogP4.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The IUPAC name of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline (CID 46947355) is 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline is CN(C)c1ccccc1-c1cc2ccc(OCCF)cc2s1.
What is the InChIKey of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
The InChIKey is IRLPBKINLIZUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-20(2)16-6-4-3-5-15(16)18-11-13-7-8-14(21-10-9-19)12-17(13)22-18/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline?
2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 315.41 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 46947355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).