pentafluoro(3H-inden-5-yl)-λ6-sulfane

C9H7F5S — CID 87609091

IUPACpentafluoro(3H-inden-5-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2c(c1)CC=C2
InChIInChI=1S/C9H7F5S/c10-15(11,12,13,14)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKeyOVUXXSVTBXVNQL-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.91
Rot. Bonds1

About pentafluoro(3H-inden-5-yl)-λ6-sulfane

pentafluoro(3H-inden-5-yl)-λ6-sulfane (PubChem CID 87609091) has the molecular formula C9H7F5S and a molecular weight of 242.21 g/mol. Its IUPAC name is pentafluoro(3H-inden-5-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(3H-inden-5-yl)-λ6-sulfane
PubChem CID87609091
Molecular FormulaC9H7F5S
Molecular Weight242.21 g/mol
Exact Mass242.02
IUPAC Namepentafluoro(3H-inden-5-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc2c(c1)CC=C2
InChIInChI=1S/C9H7F5S/c10-15(11,12,13,14)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKeyOVUXXSVTBXVNQL-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentafluoro(3H-inden-5-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(3H-inden-5-yl)-λ6-sulfane (CID 87609091) is pentafluoro(3H-inden-5-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(3H-inden-5-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(3H-inden-5-yl)-λ6-sulfane is FS(F)(F)(F)(F)c1ccc2c(c1)CC=C2.
What is the InChIKey of pentafluoro(3H-inden-5-yl)-λ6-sulfane?
The InChIKey is OVUXXSVTBXVNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5S/c10-15(11,12,13,14)9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2.
What are the key properties of pentafluoro(3H-inden-5-yl)-λ6-sulfane?
pentafluoro(3H-inden-5-yl)-λ6-sulfane has a molecular weight of 242.21 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(3H-inden-5-yl)-λ6-sulfane is sourced from PubChem (CID 87609091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).