4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol

C8H13FOS2 — CID 54362871

IUPAC4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
SMILESOCC(F)=CCC1SCCCS1
InChIInChI=1S/C8H13FOS2/c9-7(6-10)2-3-8-11-4-1-5-12-8/h2,8,10H,1,3-6H2
InChIKeyUNSVSWDPKZHLKB-UHFFFAOYSA-N
MW208.32 g/mol
LogP2.42
Rot. Bonds3

About 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol

4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol (PubChem CID 54362871) has the molecular formula C8H13FOS2 and a molecular weight of 208.32 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
PubChem CID54362871
Molecular FormulaC8H13FOS2
Molecular Weight208.32 g/mol
Exact Mass208.04
IUPAC Name4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol
SMILESOCC(F)=CCC1SCCCS1
InChIInChI=1S/C8H13FOS2/c9-7(6-10)2-3-8-11-4-1-5-12-8/h2,8,10H,1,3-6H2
InChIKeyUNSVSWDPKZHLKB-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-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-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol?
The IUPAC name of 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol (CID 54362871) is 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol?
The canonical SMILES for 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol is OCC(F)=CCC1SCCCS1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol?
The InChIKey is UNSVSWDPKZHLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FOS2/c9-7(6-10)2-3-8-11-4-1-5-12-8/h2,8,10H,1,3-6H2.
What are the key properties of 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol?
4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol has a molecular weight of 208.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-2-fluorobut-2-en-1-ol is sourced from PubChem (CID 54362871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).