3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene

C8H9FS — CID 89185915

IUPAC3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCC1CCc2c(F)csc21
InChIInChI=1S/C8H9FS/c1-5-2-3-6-7(9)4-10-8(5)6/h4-5H,2-3H2,1H3
InChIKeyFTYYNGLLMSCKRR-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.94
Rot. Bonds

About 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene

3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene (PubChem CID 89185915) has the molecular formula C8H9FS and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene.

Molecular Properties

Compound Name3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
PubChem CID89185915
Molecular FormulaC8H9FS
Molecular Weight156.22 g/mol
Exact Mass156.04
IUPAC Name3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene
SMILESCC1CCc2c(F)csc21
InChIInChI=1S/C8H9FS/c1-5-2-3-6-7(9)4-10-8(5)6/h4-5H,2-3H2,1H3
InChIKeyFTYYNGLLMSCKRR-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The IUPAC name of 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene (CID 89185915) is 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene.
What is the SMILES notation for 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The canonical SMILES for 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene is CC1CCc2c(F)csc21.
What is the InChIKey of 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
The InChIKey is FTYYNGLLMSCKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FS/c1-5-2-3-6-7(9)4-10-8(5)6/h4-5H,2-3H2,1H3.
What are the key properties of 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene?
3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene has a molecular weight of 156.22 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene is sourced from PubChem (CID 89185915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).