4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

C14H14F4O4S — CID 134586991

IUPAC4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(OC2CC(F)(F)C2)c2c1C(O)C(F)C2F
InChIInChI=1S/C14H14F4O4S/c1-23(20,21)8-3-2-7(22-6-4-14(17,18)5-6)9-10(8)13(19)12(16)11(9)15/h2-3,6,11-13,19H,4-5H2,1H3
InChIKeyWZRNCGSSISKBSW-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.66
Rot. Bonds3

About 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol

4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 134586991) has the molecular formula C14H14F4O4S and a molecular weight of 354.32 g/mol. Its IUPAC name is 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
PubChem CID134586991
Molecular FormulaC14H14F4O4S
Molecular Weight354.32 g/mol
Exact Mass354.05
IUPAC Name4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
SMILESCS(=O)(=O)c1ccc(OC2CC(F)(F)C2)c2c1C(O)C(F)C2F
InChIInChI=1S/C14H14F4O4S/c1-23(20,21)8-3-2-7(22-6-4-14(17,18)5-6)9-10(8)13(19)12(16)11(9)15/h2-3,6,11-13,19H,4-5H2,1H3
InChIKeyWZRNCGSSISKBSW-UHFFFAOYSA-N
XLogP2.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(1R,2S,3S)-1,2-difluoro-7-(3-fluorocyclobutyl)oxy-3-methyl-4-methylsulfonyl-2,3-dihydro-1H-indene
CID 134599255
(1S)-2,2-difluoro-4-(3-fluorocyclobutyl)oxy-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 134260325
3-[[(1S,3R)-2,3-difluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]-5-fluorobenzonitrile
CID 145281015
4-(3,3-difluorocyclobutyl)oxy-2,2,3-trifluoro-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122515544
4-(3,3-difluorocyclopentyl)oxy-2,2-difluoro-7-methylsulfonyl-1,3-dihydroindene
CID 122633353
3-[[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]cyclobutane-1-carbonitrile
CID 134259314
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
(5S)-1-(3,3-difluorocyclobutyl)oxy-6,6-difluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,7-difluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-1-(3,3-difluorocyclobutyl)oxy-6-fluoro-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-1-(3,3-difluorocyclobutyl)oxy-6,6,7-trifluoro-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S)-6,6-difluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol;(5S,6S,7R)-6,7-difluoro-1-(3-fluorocyclobutyl)oxy-4-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,6R)-6-fluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol;(5S,7R)-6,6,7-trifluoro-1-(3-fluorocyclobutyl)oxy-4-methyl-5,7-dihydrocyclopenta[c]pyridin-5-ol
CID 161179606
[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite
CID 175168271
(1S,2R)-4-[(S)-(3,3-difluorocyclobutyl)-hydroxymethyl]-2-fluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
CID 164883130
4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-methylsulfanyl-1,3-dihydroinden-1-ol
CID 145152946
4-[(5-chloro-3-pyridinyl)oxy]-2,2-difluoro-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 138638033

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol (CID 134586991) is 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is CS(=O)(=O)c1ccc(OC2CC(F)(F)C2)c2c1C(O)C(F)C2F.
What is the InChIKey of 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WZRNCGSSISKBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O4S/c1-23(20,21)8-3-2-7(22-6-4-14(17,18)5-6)9-10(8)13(19)12(16)11(9)15/h2-3,6,11-13,19H,4-5H2,1H3.
What are the key properties of 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol?
4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 354.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 134586991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).