2-butyl-7-fluoro-1,3-benzothiazole

C11H12FNS — CID 175941310

IUPAC2-butyl-7-fluoro-1,3-benzothiazole
SMILESCCCCc1nc2cccc(F)c2s1
InChIInChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3
InChIKeyIWNRLNUQWSDBLR-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.78
Rot. Bonds3

About 2-butyl-7-fluoro-1,3-benzothiazole

2-butyl-7-fluoro-1,3-benzothiazole (PubChem CID 175941310) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-butyl-7-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-butyl-7-fluoro-1,3-benzothiazole
PubChem CID175941310
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name2-butyl-7-fluoro-1,3-benzothiazole
SMILESCCCCc1nc2cccc(F)c2s1
InChIInChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3
InChIKeyIWNRLNUQWSDBLR-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-fluoro-1,3-benzothiazole?
The IUPAC name of 2-butyl-7-fluoro-1,3-benzothiazole (CID 175941310) is 2-butyl-7-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-butyl-7-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-butyl-7-fluoro-1,3-benzothiazole is CCCCc1nc2cccc(F)c2s1.
What is the InChIKey of 2-butyl-7-fluoro-1,3-benzothiazole?
The InChIKey is IWNRLNUQWSDBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-2-3-7-10-13-9-6-4-5-8(12)11(9)14-10/h4-6H,2-3,7H2,1H3.
What are the key properties of 2-butyl-7-fluoro-1,3-benzothiazole?
2-butyl-7-fluoro-1,3-benzothiazole has a molecular weight of 209.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-fluoro-1,3-benzothiazole is sourced from PubChem (CID 175941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).