1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine

C11H12FNS — CID 117181462

IUPAC1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc2c(F)cccc12
InChIInChI=1S/C11H12FNS/c1-13(2)6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,6H2,1-2H3
InChIKeyJRNLYYLUOVNJFN-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.10
Rot. Bonds2

About 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine

1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine (PubChem CID 117181462) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
PubChem CID117181462
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1csc2c(F)cccc12
InChIInChI=1S/C11H12FNS/c1-13(2)6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,6H2,1-2H3
InChIKeyJRNLYYLUOVNJFN-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine (CID 117181462) is 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1csc2c(F)cccc12.
What is the InChIKey of 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine?
The InChIKey is JRNLYYLUOVNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-13(2)6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine?
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine has a molecular weight of 209.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117181462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).