5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one

C8H5F3OS — CID 139250894

IUPAC5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1c2sccc2CC1C(F)(F)F
InChIInChI=1S/C8H5F3OS/c9-8(10,11)5-3-4-1-2-13-7(4)6(5)12/h1-2,5H,3H2
InChIKeyQXACTLUALHJBHG-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.67
Rot. Bonds

About 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one

5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one (PubChem CID 139250894) has the molecular formula C8H5F3OS and a molecular weight of 206.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
PubChem CID139250894
Molecular FormulaC8H5F3OS
Molecular Weight206.19 g/mol
Exact Mass206.00
IUPAC Name5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one
SMILESO=C1c2sccc2CC1C(F)(F)F
InChIInChI=1S/C8H5F3OS/c9-8(10,11)5-3-4-1-2-13-7(4)6(5)12/h1-2,5H,3H2
InChIKeyQXACTLUALHJBHG-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one?
The IUPAC name of 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one (CID 139250894) is 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one.
What is the SMILES notation for 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one?
The canonical SMILES for 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one is O=C1c2sccc2CC1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one?
The InChIKey is QXACTLUALHJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3OS/c9-8(10,11)5-3-4-1-2-13-7(4)6(5)12/h1-2,5H,3H2.
What are the key properties of 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one?
5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one has a molecular weight of 206.19 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4,5-dihydrocyclopenta[b]thiophen-6-one is sourced from PubChem (CID 139250894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).