(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol

C14H13F5O4S — CID 122532896

IUPAC(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
SMILESO=S(=O)(CF)c1ccc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C14H13F5O4S/c15-5-24(21,22)9-2-1-8(23-7-3-6(16)4-7)10-11(9)13(20)14(18,19)12(10)17/h1-2,6-7,12-13,20H,3-5H2/t6?,7?,12-,13+/m1/s1
InChIKeyZUJYVQCHGOCUMX-SMMADQRXSA-N
MW372.31 g/mol
LogP2.96
Rot. Bonds4

About (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol

(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol (PubChem CID 122532896) has the molecular formula C14H13F5O4S and a molecular weight of 372.31 g/mol. Its IUPAC name is (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
PubChem CID122532896
Molecular FormulaC14H13F5O4S
Molecular Weight372.31 g/mol
Exact Mass372.05
IUPAC Name(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
SMILESO=S(=O)(CF)c1ccc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C14H13F5O4S/c15-5-24(21,22)9-2-1-8(23-7-3-6(16)4-7)10-11(9)13(20)14(18,19)12(10)17/h1-2,6-7,12-13,20H,3-5H2/t6?,7?,12-,13+/m1/s1
InChIKeyZUJYVQCHGOCUMX-SMMADQRXSA-N
XLogP2.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-difluorocyclobutyl)oxy-2,2,3-trifluoro-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122515544
3-[[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]cyclobutane-1-carbonitrile
CID 134259314
[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite
CID 175168271
(1S)-2,2-difluoro-4-(3-fluorocyclobutyl)oxy-7-methylsulfonyl-1,3-dihydroinden-1-ol
CID 134260325
(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-methoxycyclobutyl)oxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 134259275
(1S)-4-(3,3-difluorocyclobutyl)oxy-2,2-difluoro-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 122532867
4-(3,3-difluorocyclobutyl)oxy-2,3-difluoro-7-methylsulfonyl-2,3-dihydro-1H-inden-1-ol
CID 134586991
4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
CID 64729054
(3S)-1-[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]piperidin-3-ol
CID 122532844
(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
ethane;methyl 4-(3-fluorocyclobutyl)oxy-3-methoxybenzoate
CID 144795480

Frequently Asked Questions

What is the IUPAC name of (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol?
The IUPAC name of (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol (CID 122532896) is (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol is O=S(=O)(CF)c1ccc(OC2CC(F)C2)c2c1[C@H](O)C(F)(F)[C@@H]2F.
What is the InChIKey of (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol?
The InChIKey is ZUJYVQCHGOCUMX-SMMADQRXSA-N. The full InChI is InChI=1S/C14H13F5O4S/c15-5-24(21,22)9-2-1-8(23-7-3-6(16)4-7)10-11(9)13(20)14(18,19)12(10)17/h1-2,6-7,12-13,20H,3-5H2/t6?,7?,12-,13+/m1/s1.
What are the key properties of (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol?
(1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol has a molecular weight of 372.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-2,2,3-trifluoro-4-(3-fluorocyclobutyl)oxy-7-(fluoromethylsulfonyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 122532896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).