4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene

C10H7F5O2S — CID 141436625

IUPAC4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(F)c2c1CC(F)(F)C2)C(F)F
InChIInChI=1S/C10H7F5O2S/c11-7-1-2-8(18(16,17)9(12)13)6-4-10(14,15)3-5(6)7/h1-2,9H,3-4H2
InChIKeyGCTPPMFYOABTRS-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.56
Rot. Bonds2

About 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene

4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene (PubChem CID 141436625) has the molecular formula C10H7F5O2S and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene
PubChem CID141436625
Molecular FormulaC10H7F5O2S
Molecular Weight286.22 g/mol
Exact Mass286.01
IUPAC Name4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(F)c2c1CC(F)(F)C2)C(F)F
InChIInChI=1S/C10H7F5O2S/c11-7-1-2-8(18(16,17)9(12)13)6-4-10(14,15)3-5(6)7/h1-2,9H,3-4H2
InChIKeyGCTPPMFYOABTRS-UHFFFAOYSA-N
XLogP2.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene?
The IUPAC name of 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene (CID 141436625) is 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene?
The canonical SMILES for 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene is O=S(=O)(c1ccc(F)c2c1CC(F)(F)C2)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene?
The InChIKey is GCTPPMFYOABTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2S/c11-7-1-2-8(18(16,17)9(12)13)6-4-10(14,15)3-5(6)7/h1-2,9H,3-4H2.
What are the key properties of 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene?
4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene has a molecular weight of 286.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene is sourced from PubChem (CID 141436625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).