2-ethoxy-3,6-difluoro-1-benzothiophene

C10H8F2OS — CID 130870288

IUPAC2-ethoxy-3,6-difluoro-1-benzothiophene
SMILESCCOc1sc2cc(F)ccc2c1F
InChIInChI=1S/C10H8F2OS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3
InChIKeyIGUOKIMVGHQDRX-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.58
Rot. Bonds2

About 2-ethoxy-3,6-difluoro-1-benzothiophene

2-ethoxy-3,6-difluoro-1-benzothiophene (PubChem CID 130870288) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-ethoxy-3,6-difluoro-1-benzothiophene.

Molecular Properties

Compound Name2-ethoxy-3,6-difluoro-1-benzothiophene
PubChem CID130870288
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name2-ethoxy-3,6-difluoro-1-benzothiophene
SMILESCCOc1sc2cc(F)ccc2c1F
InChIInChI=1S/C10H8F2OS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3
InChIKeyIGUOKIMVGHQDRX-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-ethoxy-2-fluorophenyl)-6-fluoro-1-benzothiophene-2-carboxylic acid
CID 168780839
2-ethoxy-3-iodo-1-benzothiophen-6-amine
CID 131031203
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
3-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-6-fluoro-1-benzothiophene-2-carbohydrazide
CID 24502829
2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-6-ethoxy-3-fluoro-1-benzothiophene
CID 134408722
(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 102972343
2-ethoxy-5-fluoro-N-methylaniline
CID 82268266
3-chloro-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 55890853
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
cyclobutylidene-[3-(5-ethoxy-2-fluorophenyl)-6-fluoro-1-benzothiophen-2-yl]methanol
CID 168911536
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,6-difluoro-1-benzothiophene?
The IUPAC name of 2-ethoxy-3,6-difluoro-1-benzothiophene (CID 130870288) is 2-ethoxy-3,6-difluoro-1-benzothiophene.
What is the SMILES notation for 2-ethoxy-3,6-difluoro-1-benzothiophene?
The canonical SMILES for 2-ethoxy-3,6-difluoro-1-benzothiophene is CCOc1sc2cc(F)ccc2c1F.
What is the InChIKey of 2-ethoxy-3,6-difluoro-1-benzothiophene?
The InChIKey is IGUOKIMVGHQDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c1-2-13-10-9(12)7-4-3-6(11)5-8(7)14-10/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-3,6-difluoro-1-benzothiophene?
2-ethoxy-3,6-difluoro-1-benzothiophene has a molecular weight of 214.24 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,6-difluoro-1-benzothiophene is sourced from PubChem (CID 130870288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).