4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene

C12H9F7O3S — CID 122532840

IUPAC4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(OCC(F)F)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C12H9F7O3S/c13-10(14)5-22-8-1-2-9(23(20,21)12(17,18)19)7-4-11(15,16)3-6(7)8/h1-2,10H,3-5H2
InChIKeyBIAFKLKCZBGRLY-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.36
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene

4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene (PubChem CID 122532840) has the molecular formula C12H9F7O3S and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
PubChem CID122532840
Molecular FormulaC12H9F7O3S
Molecular Weight366.25 g/mol
Exact Mass366.02
IUPAC Name4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene
SMILESO=S(=O)(c1ccc(OCC(F)F)c2c1CC(F)(F)C2)C(F)(F)F
InChIInChI=1S/C12H9F7O3S/c13-10(14)5-22-8-1-2-9(23(20,21)12(17,18)19)7-4-11(15,16)3-6(7)8/h1-2,10H,3-5H2
InChIKeyBIAFKLKCZBGRLY-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-7-fluoro-1H-indazole
CID 122544459
(1S)-2,2-difluoro-4-(1-methoxypropan-2-yloxy)-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134599237
methyl 2-[[2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]acetate
CID 134259207
2-[[2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]propanoic acid
CID 134259212
(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
(1S)-4-(cyclopropylmethoxy)-7-(difluoromethylsulfonyl)-2,2-difluoro-1,3-dihydroinden-1-ol
CID 134259326
(1S)-2,2-difluoro-4-(2-hydroxyethyl)-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122515496
2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
CID 60922522
4-(difluoromethylsulfonyl)-2,2,7-trifluoro-1,3-dihydroindene
CID 141436625
7'-(2,2-difluoroethoxy)-2',2'-difluorospiro[1,3-dioxolane-2,3'-1H-indene]-4'-carbaldehyde
CID 122515514
2,2-difluoro-4-[(1R,3R)-3-hydroxycyclohexyl]-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 140843343

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The IUPAC name of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene (CID 122532840) is 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene is O=S(=O)(c1ccc(OCC(F)F)c2c1CC(F)(F)C2)C(F)(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
The InChIKey is BIAFKLKCZBGRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7O3S/c13-10(14)5-22-8-1-2-9(23(20,21)12(17,18)19)7-4-11(15,16)3-6(7)8/h1-2,10H,3-5H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene?
4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene has a molecular weight of 366.25 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroindene is sourced from PubChem (CID 122532840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).