8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane

C15H17F3O2S — CID 69192341

IUPAC8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H17F3O2S/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14/h1-4,13H,5-10H2
InChIKeyLUMLSQRRKPUAHH-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.48
Rot. Bonds2

About 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane

8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane (PubChem CID 69192341) has the molecular formula C15H17F3O2S and a molecular weight of 318.36 g/mol. Its IUPAC name is 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
PubChem CID69192341
Molecular FormulaC15H17F3O2S
Molecular Weight318.36 g/mol
Exact Mass318.09
IUPAC Name8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
SMILESFC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H17F3O2S/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14/h1-4,13H,5-10H2
InChIKeyLUMLSQRRKPUAHH-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane 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 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane (CID 69192341) is 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane is FC(F)(F)c1ccc(SC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is LUMLSQRRKPUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O2S/c16-15(17,18)11-1-3-12(4-2-11)21-13-5-7-14(8-6-13)19-9-10-20-14/h1-4,13H,5-10H2.
What are the key properties of 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane?
8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 318.36 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 69192341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).