5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide

C8H9F2IS — CID 145406035

IUPAC5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide
SMILESCc1scc2c1CC(F)(F)C2.I
InChIInChI=1S/C8H8F2S.HI/c1-5-7-3-8(9,10)2-6(7)4-11-5;/h4H,2-3H2,1H3;1H
InChIKeyAQOSOLURESRRSA-UHFFFAOYSA-N
MW302.13 g/mol
LogP3.41
Rot. Bonds

About 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide

5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide (PubChem CID 145406035) has the molecular formula C8H9F2IS and a molecular weight of 302.13 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide
PubChem CID145406035
Molecular FormulaC8H9F2IS
Molecular Weight302.13 g/mol
Exact Mass301.94
IUPAC Name5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide
SMILESCc1scc2c1CC(F)(F)C2.I
InChIInChI=1S/C8H8F2S.HI/c1-5-7-3-8(9,10)2-6(7)4-11-5;/h4H,2-3H2,1H3;1H
InChIKeyAQOSOLURESRRSA-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide?
The IUPAC name of 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide (CID 145406035) is 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide.
What is the SMILES notation for 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide?
The canonical SMILES for 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide is Cc1scc2c1CC(F)(F)C2.I.
What is the InChIKey of 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide?
The InChIKey is AQOSOLURESRRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2S.HI/c1-5-7-3-8(9,10)2-6(7)4-11-5;/h4H,2-3H2,1H3;1H.
What are the key properties of 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide?
5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide has a molecular weight of 302.13 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-4,6-dihydrocyclopenta[c]thiophene;hydroiodide is sourced from PubChem (CID 145406035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).