2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol

C8H13F3OS — CID 116617331

IUPAC2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCSC(F)(F)F
InChIInChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-6-2-1-3-7(6)12/h6-7,12H,1-5H2
InChIKeySVFOFYAHVFEMPG-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.79
Rot. Bonds3

About 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol

2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol (PubChem CID 116617331) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
PubChem CID116617331
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol
SMILESOC1CCCC1CCSC(F)(F)F
InChIInChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-6-2-1-3-7(6)12/h6-7,12H,1-5H2
InChIKeySVFOFYAHVFEMPG-UHFFFAOYSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-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 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol (CID 116617331) is 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol is OC1CCCC1CCSC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
The InChIKey is SVFOFYAHVFEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c9-8(10,11)13-5-4-6-2-1-3-7(6)12/h6-7,12H,1-5H2.
What are the key properties of 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol?
2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol has a molecular weight of 214.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 116617331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).