2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol

C10H17F3OS — CID 116627915

IUPAC2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESOCC(CCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyKLAFQICJNXPPOR-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.43
Rot. Bonds5

About 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol

2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol (PubChem CID 116627915) has the molecular formula C10H17F3OS and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol
PubChem CID116627915
Molecular FormulaC10H17F3OS
Molecular Weight242.31 g/mol
Exact Mass242.10
IUPAC Name2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol
SMILESOCC(CCSC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H17F3OS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9,14H,1-7H2
InChIKeyKLAFQICJNXPPOR-UHFFFAOYSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-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-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The IUPAC name of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol (CID 116627915) is 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The canonical SMILES for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol is OCC(CCSC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol?
The InChIKey is KLAFQICJNXPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3OS/c11-10(12,13)15-6-5-9(7-14)8-3-1-2-4-8/h8-9,14H,1-7H2.
What are the key properties of 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol?
2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol has a molecular weight of 242.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(trifluoromethylsulfanyl)butan-1-ol is sourced from PubChem (CID 116627915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).