3-(2-fluoroethylsulfanyl)butan-1-ol

C6H13FOS — CID 79035558

IUPAC3-(2-fluoroethylsulfanyl)butan-1-ol
SMILESCC(CCO)SCCF
InChIInChI=1S/C6H13FOS/c1-6(2-4-8)9-5-3-7/h6,8H,2-5H2,1H3
InChIKeyBFVAVJXOMJUKBQ-UHFFFAOYSA-N
MW152.23 g/mol
LogP1.46
Rot. Bonds5

About 3-(2-fluoroethylsulfanyl)butan-1-ol

3-(2-fluoroethylsulfanyl)butan-1-ol (PubChem CID 79035558) has the molecular formula C6H13FOS and a molecular weight of 152.23 g/mol. Its IUPAC name is 3-(2-fluoroethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-(2-fluoroethylsulfanyl)butan-1-ol
PubChem CID79035558
Molecular FormulaC6H13FOS
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name3-(2-fluoroethylsulfanyl)butan-1-ol
SMILESCC(CCO)SCCF
InChIInChI=1S/C6H13FOS/c1-6(2-4-8)9-5-3-7/h6,8H,2-5H2,1H3
InChIKeyBFVAVJXOMJUKBQ-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluoroethylsulfanyl)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 3-(2-fluoroethylsulfanyl)butan-1-ol?
The IUPAC name of 3-(2-fluoroethylsulfanyl)butan-1-ol (CID 79035558) is 3-(2-fluoroethylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-(2-fluoroethylsulfanyl)butan-1-ol?
The canonical SMILES for 3-(2-fluoroethylsulfanyl)butan-1-ol is CC(CCO)SCCF.
What is the InChIKey of 3-(2-fluoroethylsulfanyl)butan-1-ol?
The InChIKey is BFVAVJXOMJUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FOS/c1-6(2-4-8)9-5-3-7/h6,8H,2-5H2,1H3.
What are the key properties of 3-(2-fluoroethylsulfanyl)butan-1-ol?
3-(2-fluoroethylsulfanyl)butan-1-ol has a molecular weight of 152.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylsulfanyl)butan-1-ol is sourced from PubChem (CID 79035558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).