6-fluoro-7-propan-2-yl-1-benzothiophene

C11H11FS — CID 170676310

IUPAC6-fluoro-7-propan-2-yl-1-benzothiophene
SMILESCC(C)c1c(F)ccc2ccsc12
InChIInChI=1S/C11H11FS/c1-7(2)10-9(12)4-3-8-5-6-13-11(8)10/h3-7H,1-2H3
InChIKeyGLBMBYWOQPBYAH-UHFFFAOYSA-N
MW194.27 g/mol
LogP4.16
Rot. Bonds1

About 6-fluoro-7-propan-2-yl-1-benzothiophene

6-fluoro-7-propan-2-yl-1-benzothiophene (PubChem CID 170676310) has the molecular formula C11H11FS and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-fluoro-7-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-7-propan-2-yl-1-benzothiophene
PubChem CID170676310
Molecular FormulaC11H11FS
Molecular Weight194.27 g/mol
Exact Mass194.06
IUPAC Name6-fluoro-7-propan-2-yl-1-benzothiophene
SMILESCC(C)c1c(F)ccc2ccsc12
InChIInChI=1S/C11H11FS/c1-7(2)10-9(12)4-3-8-5-6-13-11(8)10/h3-7H,1-2H3
InChIKeyGLBMBYWOQPBYAH-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-6-fluoro-1-benzothiophene
CID 22171232
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate
CID 159957206
7-fluoro-4-methyl-1-benzothiophene
CID 66644704
5-propan-2-yl-1-benzothiophen-7-amine
CID 138632945
5,7-di(propan-2-yl)thieno[2,3-c]pyridine
CID 166928796
N,N-diethyl-2-[2-(6-fluoro-1-benzothiophen-7-yl)ethoxy]ethanamine
CID 22666279
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanol
CID 81142378
1-benzothiophene-6,7-diol
CID 57172038

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-propan-2-yl-1-benzothiophene?
The IUPAC name of 6-fluoro-7-propan-2-yl-1-benzothiophene (CID 170676310) is 6-fluoro-7-propan-2-yl-1-benzothiophene.
What is the SMILES notation for 6-fluoro-7-propan-2-yl-1-benzothiophene?
The canonical SMILES for 6-fluoro-7-propan-2-yl-1-benzothiophene is CC(C)c1c(F)ccc2ccsc12.
What is the InChIKey of 6-fluoro-7-propan-2-yl-1-benzothiophene?
The InChIKey is GLBMBYWOQPBYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FS/c1-7(2)10-9(12)4-3-8-5-6-13-11(8)10/h3-7H,1-2H3.
What are the key properties of 6-fluoro-7-propan-2-yl-1-benzothiophene?
6-fluoro-7-propan-2-yl-1-benzothiophene has a molecular weight of 194.27 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 170676310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).