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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Related Compounds

1-Methylsulfanyl-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 20080613
6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
1-(Difluoromethylsulfanyl)-4-methylcyclohexa-1,3-diene
CID 141992966
(2E)-4-methyl-3-methylidene-2-[(E)-2-(trifluoromethyl)but-2-enylidene]thiophene
CID 142164566
6-methyl-3,5-bis(trifluoromethyl)-2H-thiopyran
CID 163440773
3-Fluoro-7-methyl-5,6-dihydro-1-benzothiophene
CID 166819398
1,2-Difluoro-5-methylsulfanyl-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 173206959
3,4-dimethyl-6-(1,1,2,2,3,3,4,4-octafluorobutyl)-2H-thiopyran
CID 125489198
2-(Trifluoromethyl)-5,6-dihydro-1-benzothiophene
CID 152325903
3-Methyl-6-(trifluoromethyl)-5,6-dihydro-1-benzothiophene
CID 154555449

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).