2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene

C11H7Cl2FS — CID 14398703

IUPAC2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene
SMILESCc1cccc2cc(C(F)=C(Cl)Cl)sc12
InChIInChI=1S/C11H7Cl2FS/c1-6-3-2-4-7-5-8(15-10(6)7)9(14)11(12)13/h2-5H,1H3
InChIKeyPBWPIMWPHNYFCK-UHFFFAOYSA-N
MW261.15 g/mol
LogP5.28
Rot. Bonds1

About 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene

2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene (PubChem CID 14398703) has the molecular formula C11H7Cl2FS and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene
PubChem CID14398703
Molecular FormulaC11H7Cl2FS
Molecular Weight261.15 g/mol
Exact Mass259.96
IUPAC Name2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene
SMILESCc1cccc2cc(C(F)=C(Cl)Cl)sc12
InChIInChI=1S/C11H7Cl2FS/c1-6-3-2-4-7-5-8(15-10(6)7)9(14)11(12)13/h2-5H,1H3
InChIKeyPBWPIMWPHNYFCK-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene?
The IUPAC name of 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene (CID 14398703) is 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene.
What is the SMILES notation for 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene?
The canonical SMILES for 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene is Cc1cccc2cc(C(F)=C(Cl)Cl)sc12.
What is the InChIKey of 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene?
The InChIKey is PBWPIMWPHNYFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FS/c1-6-3-2-4-7-5-8(15-10(6)7)9(14)11(12)13/h2-5H,1H3.
What are the key properties of 2-(2,2-dichloro-1-fluoroethenyl)-7-methyl-1-benzothiophene?
2-(2,2-dichloro-1-fluoroethenyl)-7-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)-7-methyl-1-benzothiophene is sourced from PubChem (CID 14398703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).