2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene

C11H7Cl2FS — CID 14398702

IUPAC2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene
SMILESCc1cccc2sc(C(F)=C(Cl)Cl)cc12
InChIInChI=1S/C11H7Cl2FS/c1-6-3-2-4-8-7(6)5-9(15-8)10(14)11(12)13/h2-5H,1H3
InChIKeyMYRNTQYTWNXWQB-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.28
Rot. Bonds1

About 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene

2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene (PubChem CID 14398702) has the molecular formula C11H7Cl2FS and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene
PubChem CID14398702
Molecular FormulaC11H7Cl2FS
Molecular Weight261.15 g/mol
Exact Mass259.96
IUPAC Name2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene
SMILESCc1cccc2sc(C(F)=C(Cl)Cl)cc12
InChIInChI=1S/C11H7Cl2FS/c1-6-3-2-4-8-7(6)5-9(15-8)10(14)11(12)13/h2-5H,1H3
InChIKeyMYRNTQYTWNXWQB-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.15
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene
CID 14398703
1-(4-methyl-1-benzothiophen-2-yl)propan-1-one
CID 22473751
4-fluoro-1-benzothiophene-2-carbonyl chloride
CID 119087029
2-tert-butyl-4-methyl-1-benzothiophene
CID 20747379
2-(4-methyl-1-benzothiophen-2-yl)propan-1-ol
CID 117120003
2-(4-methyl-1-benzothiophen-2-yl)acetaldehyde
CID 117194333
4-hydroxy-1-benzothiophene-2-carboxylic acid
CID 84665318
2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113984
1-methyl-5-(4-methyl-1-benzothiophen-2-yl)pyrazol-3-amine
CID 115110015
(2,6-dimethylphenyl) 3-chloro-1-benzothiophene-2-carboxylate
CID 918099
2-[ethyl-(4-fluoro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 54901411
1-methyldibenzothiophene
CID 23839

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene?
The IUPAC name of 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene (CID 14398702) is 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene.
What is the SMILES notation for 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene?
The canonical SMILES for 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene is Cc1cccc2sc(C(F)=C(Cl)Cl)cc12.
What is the InChIKey of 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene?
The InChIKey is MYRNTQYTWNXWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FS/c1-6-3-2-4-8-7(6)5-9(15-8)10(14)11(12)13/h2-5H,1H3.
What are the key properties of 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene?
2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene has a molecular weight of 261.15 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dichloro-1-fluoroethenyl)-4-methyl-1-benzothiophene is sourced from PubChem (CID 14398702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).