1,2,2,7-tetrafluoro-4-methylsulfanylindene

C10H6F4S — CID 141436618

IUPAC1,2,2,7-tetrafluoro-4-methylsulfanylindene
SMILESCSc1ccc(F)c2c1=CC(F)(F)C=2F
InChIInChI=1S/C10H6F4S/c1-15-7-3-2-6(11)8-5(7)4-10(13,14)9(8)12/h2-4H,1H3
InChIKeyUNMGADCYACWKBY-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.05
Rot. Bonds1

About 1,2,2,7-tetrafluoro-4-methylsulfanylindene

1,2,2,7-tetrafluoro-4-methylsulfanylindene (PubChem CID 141436618) has the molecular formula C10H6F4S and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,2,2,7-tetrafluoro-4-methylsulfanylindene.

Molecular Properties

Compound Name1,2,2,7-tetrafluoro-4-methylsulfanylindene
PubChem CID141436618
Molecular FormulaC10H6F4S
Molecular Weight234.22 g/mol
Exact Mass234.01
IUPAC Name1,2,2,7-tetrafluoro-4-methylsulfanylindene
SMILESCSc1ccc(F)c2c1=CC(F)(F)C=2F
InChIInChI=1S/C10H6F4S/c1-15-7-3-2-6(11)8-5(7)4-10(13,14)9(8)12/h2-4H,1H3
InChIKeyUNMGADCYACWKBY-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,7-tetrafluoro-4-methylsulfanylindene?
The IUPAC name of 1,2,2,7-tetrafluoro-4-methylsulfanylindene (CID 141436618) is 1,2,2,7-tetrafluoro-4-methylsulfanylindene.
What is the SMILES notation for 1,2,2,7-tetrafluoro-4-methylsulfanylindene?
The canonical SMILES for 1,2,2,7-tetrafluoro-4-methylsulfanylindene is CSc1ccc(F)c2c1=CC(F)(F)C=2F.
What is the InChIKey of 1,2,2,7-tetrafluoro-4-methylsulfanylindene?
The InChIKey is UNMGADCYACWKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4S/c1-15-7-3-2-6(11)8-5(7)4-10(13,14)9(8)12/h2-4H,1H3.
What are the key properties of 1,2,2,7-tetrafluoro-4-methylsulfanylindene?
1,2,2,7-tetrafluoro-4-methylsulfanylindene has a molecular weight of 234.22 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,7-tetrafluoro-4-methylsulfanylindene is sourced from PubChem (CID 141436618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).