4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol

C16H17F5OS — CID 145152952

IUPAC4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
SMILESOC1c2c(SC(F)(F)F)ccc(C3CCCCC3)c2CC1(F)F
InChIInChI=1S/C16H17F5OS/c17-15(18)8-11-10(9-4-2-1-3-5-9)6-7-12(13(11)14(15)22)23-16(19,20)21/h6-7,9,14,22H,1-5,8H2
InChIKeySZRBJGIHCXRUEZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP5.57
Rot. Bonds2

About 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol

4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol (PubChem CID 145152952) has the molecular formula C16H17F5OS and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
PubChem CID145152952
Molecular FormulaC16H17F5OS
Molecular Weight352.37 g/mol
Exact Mass352.09
IUPAC Name4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol
SMILESOC1c2c(SC(F)(F)F)ccc(C3CCCCC3)c2CC1(F)F
InChIInChI=1S/C16H17F5OS/c17-15(18)8-11-10(9-4-2-1-3-5-9)6-7-12(13(11)14(15)22)23-16(19,20)21/h6-7,9,14,22H,1-5,8H2
InChIKeySZRBJGIHCXRUEZ-UHFFFAOYSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.37
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The IUPAC name of 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol (CID 145152952) is 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol.
What is the SMILES notation for 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The canonical SMILES for 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol is OC1c2c(SC(F)(F)F)ccc(C3CCCCC3)c2CC1(F)F.
What is the InChIKey of 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
The InChIKey is SZRBJGIHCXRUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5OS/c17-15(18)8-11-10(9-4-2-1-3-5-9)6-7-12(13(11)14(15)22)23-16(19,20)21/h6-7,9,14,22H,1-5,8H2.
What are the key properties of 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol?
4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol has a molecular weight of 352.37 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2,2-difluoro-7-(trifluoromethylsulfanyl)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 145152952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).