2-(2-fluorocyclopropyl)-1-benzothiophene

C11H9FS — CID 162416065

IUPAC2-(2-fluorocyclopropyl)-1-benzothiophene
SMILESFC1CC1c1cc2ccccc2s1
InChIInChI=1S/C11H9FS/c12-9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9H,6H2
InChIKeyFKMJVSQXHMYTRN-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.73
Rot. Bonds1

About 2-(2-fluorocyclopropyl)-1-benzothiophene

2-(2-fluorocyclopropyl)-1-benzothiophene (PubChem CID 162416065) has the molecular formula C11H9FS and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(2-fluorocyclopropyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2-fluorocyclopropyl)-1-benzothiophene
PubChem CID162416065
Molecular FormulaC11H9FS
Molecular Weight192.26 g/mol
Exact Mass192.04
IUPAC Name2-(2-fluorocyclopropyl)-1-benzothiophene
SMILESFC1CC1c1cc2ccccc2s1
InChIInChI=1S/C11H9FS/c12-9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9H,6H2
InChIKeyFKMJVSQXHMYTRN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorocyclopropyl)-1-benzothiophene?
The IUPAC name of 2-(2-fluorocyclopropyl)-1-benzothiophene (CID 162416065) is 2-(2-fluorocyclopropyl)-1-benzothiophene.
What is the SMILES notation for 2-(2-fluorocyclopropyl)-1-benzothiophene?
The canonical SMILES for 2-(2-fluorocyclopropyl)-1-benzothiophene is FC1CC1c1cc2ccccc2s1.
What is the InChIKey of 2-(2-fluorocyclopropyl)-1-benzothiophene?
The InChIKey is FKMJVSQXHMYTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FS/c12-9-6-8(9)11-5-7-3-1-2-4-10(7)13-11/h1-5,8-9H,6H2.
What are the key properties of 2-(2-fluorocyclopropyl)-1-benzothiophene?
2-(2-fluorocyclopropyl)-1-benzothiophene has a molecular weight of 192.26 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorocyclopropyl)-1-benzothiophene is sourced from PubChem (CID 162416065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).