(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol

C16H16F6O2S — CID 171619724

IUPAC(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(SC(F)(F)F)ccc(OC3CCC(F)CC3)c2CC1(F)F
InChIInChI=1S/C16H16F6O2S/c17-8-1-3-9(4-2-8)24-11-5-6-12(25-16(20,21)22)13-10(11)7-15(18,19)14(13)23/h5-6,8-9,14,23H,1-4,7H2/t8?,9?,14-/m0/s1
InChIKeyOEVHXDWNCQOJOI-CTCYHXBNSA-N
MW386.36 g/mol
LogP5.18
Rot. Bonds3

About (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol

(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol (PubChem CID 171619724) has the molecular formula C16H16F6O2S and a molecular weight of 386.36 g/mol. Its IUPAC name is (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
PubChem CID171619724
Molecular FormulaC16H16F6O2S
Molecular Weight386.36 g/mol
Exact Mass386.08
IUPAC Name(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
SMILESO[C@H]1c2c(SC(F)(F)F)ccc(OC3CCC(F)CC3)c2CC1(F)F
InChIInChI=1S/C16H16F6O2S/c17-8-1-3-9(4-2-8)24-11-5-6-12(25-16(20,21)22)13-10(11)7-15(18,19)14(13)23/h5-6,8-9,14,23H,1-4,7H2/t8?,9?,14-/m0/s1
InChIKeyOEVHXDWNCQOJOI-CTCYHXBNSA-N
XLogP5.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol with MolForge

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Related Compounds

Belzutifan
CID 117947097
PT-2385
CID 91754484
PT2399
CID 91663289
4-(3-chloro-5-fluorophenoxy)-7-(difluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 117942380
PT-2385 R-Enantiomer
CID 117942590
3-[[(1S)-7-ethylsulfonyl-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117942651
3-fluoro-5-[[(1S,2S)-2-fluoro-1-hydroxy-7-methylsulfonyl-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
CID 117947043
3-[[(1S)-2,2-difluoro-7-(fluoromethylsulfonyl)-1-hydroxy-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947049
(Rac)-PT2399
CID 117947087
3-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
CID 117947092
3-fluoro-5-[[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]benzonitrile
CID 117947096
Zus5ynu7R3
CID 117947100

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The IUPAC name of (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol (CID 171619724) is (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol is O[C@H]1c2c(SC(F)(F)F)ccc(OC3CCC(F)CC3)c2CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The InChIKey is OEVHXDWNCQOJOI-CTCYHXBNSA-N. The full InChI is InChI=1S/C16H16F6O2S/c17-8-1-3-9(4-2-8)24-11-5-6-12(25-16(20,21)22)13-10(11)7-15(18,19)14(13)23/h5-6,8-9,14,23H,1-4,7H2/t8?,9?,14-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
(1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol has a molecular weight of 386.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-4-(4-fluorocyclohexyl)oxy-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 171619724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).