3-chloro-2,7-difluoro-1-benzothiophene

C8H3ClF2S — CID 130926138

IUPAC3-chloro-2,7-difluoro-1-benzothiophene
SMILESFc1sc2c(F)cccc2c1Cl
InChIInChI=1S/C8H3ClF2S/c9-6-4-2-1-3-5(10)7(4)12-8(6)11/h1-3H
InChIKeyMKOXWKYLIRBXEM-UHFFFAOYSA-N
MW204.63 g/mol
LogP3.83
Rot. Bonds

About 3-chloro-2,7-difluoro-1-benzothiophene

3-chloro-2,7-difluoro-1-benzothiophene (PubChem CID 130926138) has the molecular formula C8H3ClF2S and a molecular weight of 204.63 g/mol. Its IUPAC name is 3-chloro-2,7-difluoro-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-2,7-difluoro-1-benzothiophene
PubChem CID130926138
Molecular FormulaC8H3ClF2S
Molecular Weight204.63 g/mol
Exact Mass203.96
IUPAC Name3-chloro-2,7-difluoro-1-benzothiophene
SMILESFc1sc2c(F)cccc2c1Cl
InChIInChI=1S/C8H3ClF2S/c9-6-4-2-1-3-5(10)7(4)12-8(6)11/h1-3H
InChIKeyMKOXWKYLIRBXEM-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,7-difluoro-1-benzothiophene?
The IUPAC name of 3-chloro-2,7-difluoro-1-benzothiophene (CID 130926138) is 3-chloro-2,7-difluoro-1-benzothiophene.
What is the SMILES notation for 3-chloro-2,7-difluoro-1-benzothiophene?
The canonical SMILES for 3-chloro-2,7-difluoro-1-benzothiophene is Fc1sc2c(F)cccc2c1Cl.
What is the InChIKey of 3-chloro-2,7-difluoro-1-benzothiophene?
The InChIKey is MKOXWKYLIRBXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2S/c9-6-4-2-1-3-5(10)7(4)12-8(6)11/h1-3H.
What are the key properties of 3-chloro-2,7-difluoro-1-benzothiophene?
3-chloro-2,7-difluoro-1-benzothiophene has a molecular weight of 204.63 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,7-difluoro-1-benzothiophene is sourced from PubChem (CID 130926138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).