3-(ethoxymethyl)-7-fluoro-1-benzothiophene

C11H11FOS — CID 117181592

IUPAC3-(ethoxymethyl)-7-fluoro-1-benzothiophene
SMILESCCOCc1csc2c(F)cccc12
InChIInChI=1S/C11H11FOS/c1-2-13-6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,2,6H2,1H3
InChIKeyYRXRGJAGDUNECQ-UHFFFAOYSA-N
MW210.27 g/mol
LogP3.58
Rot. Bonds3

About 3-(ethoxymethyl)-7-fluoro-1-benzothiophene

3-(ethoxymethyl)-7-fluoro-1-benzothiophene (PubChem CID 117181592) has the molecular formula C11H11FOS and a molecular weight of 210.27 g/mol. Its IUPAC name is 3-(ethoxymethyl)-7-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3-(ethoxymethyl)-7-fluoro-1-benzothiophene
PubChem CID117181592
Molecular FormulaC11H11FOS
Molecular Weight210.27 g/mol
Exact Mass210.05
IUPAC Name3-(ethoxymethyl)-7-fluoro-1-benzothiophene
SMILESCCOCc1csc2c(F)cccc12
InChIInChI=1S/C11H11FOS/c1-2-13-6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,2,6H2,1H3
InChIKeyYRXRGJAGDUNECQ-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
CID 81047617
3-(ethoxymethyl)-4-methyl-1-benzothiophene
CID 117184524
3-[(2-fluorophenoxy)methyl]-1-benzothiophene-7-carboxylic acid
CID 117181633
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-ol
CID 117181555
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982
3-[(4-fluorophenoxy)methyl]-1-benzothiophen-7-amine
CID 117181553
7-fluoro-1-benzothiophene-3-carbaldehyde
CID 82374224

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-7-fluoro-1-benzothiophene?
The IUPAC name of 3-(ethoxymethyl)-7-fluoro-1-benzothiophene (CID 117181592) is 3-(ethoxymethyl)-7-fluoro-1-benzothiophene.
What is the SMILES notation for 3-(ethoxymethyl)-7-fluoro-1-benzothiophene?
The canonical SMILES for 3-(ethoxymethyl)-7-fluoro-1-benzothiophene is CCOCc1csc2c(F)cccc12.
What is the InChIKey of 3-(ethoxymethyl)-7-fluoro-1-benzothiophene?
The InChIKey is YRXRGJAGDUNECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FOS/c1-2-13-6-8-7-14-11-9(8)4-3-5-10(11)12/h3-5,7H,2,6H2,1H3.
What are the key properties of 3-(ethoxymethyl)-7-fluoro-1-benzothiophene?
3-(ethoxymethyl)-7-fluoro-1-benzothiophene has a molecular weight of 210.27 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-7-fluoro-1-benzothiophene is sourced from PubChem (CID 117181592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).