4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene

C15H16F4O3S — CID 122633353

IUPAC4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene
SMILESCS(=O)(=O)c1ccc(OC2CCC(F)(F)C2)c2c1CC(F)(F)C2
InChIInChI=1S/C15H16F4O3S/c1-23(20,21)13-3-2-12(10-7-15(18,19)8-11(10)13)22-9-4-5-14(16,17)6-9/h2-3,9H,4-8H2,1H3
InChIKeyLEEBUVDNKNZTKT-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.39
Rot. Bonds3

About 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene

4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene (PubChem CID 122633353) has the molecular formula C15H16F4O3S and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene.

Molecular Properties

Compound Name4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene
PubChem CID122633353
Molecular FormulaC15H16F4O3S
Molecular Weight352.35 g/mol
Exact Mass352.08
IUPAC Name4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene
SMILESCS(=O)(=O)c1ccc(OC2CCC(F)(F)C2)c2c1CC(F)(F)C2
InChIInChI=1S/C15H16F4O3S/c1-23(20,21)13-3-2-12(10-7-15(18,19)8-11(10)13)22-9-4-5-14(16,17)6-9/h2-3,9H,4-8H2,1H3
InChIKeyLEEBUVDNKNZTKT-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2,2-difluoro-4-(3-fluorocyclobutyl)oxy-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 134260325
4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
CID 134586991
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
(1S)-2,2-difluoro-4-(3-methoxycyclobutyl)oxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134259275
4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
CID 122532840
4-[(5-chloro-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 138638033
N-tert-butyl-4-(4,4-difluorocyclohexyl)oxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 155639885
4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene
CID 141436625
5-[[(1R)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 139494131
methyl 2-(3-chloro-4-methylsulfonylphenyl)-3-[(1R)-3,3-difluorocyclopentyl]propanoate
CID 67189628
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
2-bromo-1-(4,4-difluorocyclohexyl)oxy-4-methylbenzene
CID 135227009

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene?
The IUPAC name of 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene (CID 122633353) is 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene.
What is the SMILES notation for 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene?
The canonical SMILES for 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene is CS(=O)(=O)c1ccc(OC2CCC(F)(F)C2)c2c1CC(F)(F)C2.
What is the InChIKey of 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene?
The InChIKey is LEEBUVDNKNZTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O3S/c1-23(20,21)13-3-2-12(10-7-15(18,19)8-11(10)13)22-9-4-5-14(16,17)6-9/h2-3,9H,4-8H2,1H3.
What are the key properties of 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene?
4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene has a molecular weight of 352.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene is sourced from PubChem (CID 122633353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).