3-butyl-2-fluoro-1-benzothiophene

C12H13FS — CID 11009140

IUPAC3-butyl-2-fluoro-1-benzothiophene
SMILESCCCCc1c(F)sc2ccccc12
InChIInChI=1S/C12H13FS/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPQWBNYFVMQTPRV-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.38
Rot. Bonds3

About 3-butyl-2-fluoro-1-benzothiophene

3-butyl-2-fluoro-1-benzothiophene (PubChem CID 11009140) has the molecular formula C12H13FS and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-butyl-2-fluoro-1-benzothiophene.

Molecular Properties

Compound Name3-butyl-2-fluoro-1-benzothiophene
PubChem CID11009140
Molecular FormulaC12H13FS
Molecular Weight208.30 g/mol
Exact Mass208.07
IUPAC Name3-butyl-2-fluoro-1-benzothiophene
SMILESCCCCc1c(F)sc2ccccc12
InChIInChI=1S/C12H13FS/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPQWBNYFVMQTPRV-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-fluoro-1-benzothiophene?
The IUPAC name of 3-butyl-2-fluoro-1-benzothiophene (CID 11009140) is 3-butyl-2-fluoro-1-benzothiophene.
What is the SMILES notation for 3-butyl-2-fluoro-1-benzothiophene?
The canonical SMILES for 3-butyl-2-fluoro-1-benzothiophene is CCCCc1c(F)sc2ccccc12.
What is the InChIKey of 3-butyl-2-fluoro-1-benzothiophene?
The InChIKey is PQWBNYFVMQTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FS/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-butyl-2-fluoro-1-benzothiophene?
3-butyl-2-fluoro-1-benzothiophene has a molecular weight of 208.30 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-fluoro-1-benzothiophene is sourced from PubChem (CID 11009140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).