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

C9H6F2S — CID 129075425

IUPAC2,3-difluoro-6-methyl-1-benzothiophene
SMILESCc1ccc2c(F)c(F)sc2c1
InChIInChI=1S/C9H6F2S/c1-5-2-3-6-7(4-5)12-9(11)8(6)10/h2-4H,1H3
InChIKeyUTVVPTXWCRITSE-UHFFFAOYSA-N
MW184.21 g/mol
LogP3.49
Rot. Bonds

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

2,3-difluoro-6-methyl-1-benzothiophene (PubChem CID 129075425) has the molecular formula C9H6F2S and a molecular weight of 184.21 g/mol. Its IUPAC name is 2,3-difluoro-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name2,3-difluoro-6-methyl-1-benzothiophene
PubChem CID129075425
Molecular FormulaC9H6F2S
Molecular Weight184.21 g/mol
Exact Mass184.02
IUPAC Name2,3-difluoro-6-methyl-1-benzothiophene
SMILESCc1ccc2c(F)c(F)sc2c1
InChIInChI=1S/C9H6F2S/c1-5-2-3-6-7(4-5)12-9(11)8(6)10/h2-4H,1H3
InChIKeyUTVVPTXWCRITSE-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
4-fluoro-3,7-dimethyldibenzothiophene
CID 146657158
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
6-methyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130961928
4,7-dimethylthiochromene-2-thione
CID 12630081
3-(chloromethyl)-2-fluoro-5-methyl-1-benzothiophene
CID 130951803
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678
3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
CID 143237418
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
6-methyl-3,11-dithiapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,12,14,16,18-nonaene
CID 118333927
7-methyl-1,2-dimethylidene-[1]benzothiolo[5,6-b][1]benzothiole
CID 146520517
3-amino-6-methyl-1-benzothiophene-2-carbonitrile
CID 130969369

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-methyl-1-benzothiophene?
The IUPAC name of 2,3-difluoro-6-methyl-1-benzothiophene (CID 129075425) is 2,3-difluoro-6-methyl-1-benzothiophene.
What is the SMILES notation for 2,3-difluoro-6-methyl-1-benzothiophene?
The canonical SMILES for 2,3-difluoro-6-methyl-1-benzothiophene is Cc1ccc2c(F)c(F)sc2c1.
What is the InChIKey of 2,3-difluoro-6-methyl-1-benzothiophene?
The InChIKey is UTVVPTXWCRITSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2S/c1-5-2-3-6-7(4-5)12-9(11)8(6)10/h2-4H,1H3.
What are the key properties of 2,3-difluoro-6-methyl-1-benzothiophene?
2,3-difluoro-6-methyl-1-benzothiophene has a molecular weight of 184.21 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-methyl-1-benzothiophene is sourced from PubChem (CID 129075425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).