3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine

C8H16FNO2S — CID 115026484

IUPAC3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine
SMILESNCCC(CF)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c9-5-7(1-3-10)8-2-4-13(11,12)6-8/h7-8H,1-6,10H2
InChIKeyHAZIZZULBUAASG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.36
Rot. Bonds4

About 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine

3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine (PubChem CID 115026484) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine
PubChem CID115026484
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine
SMILESNCCC(CF)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H16FNO2S/c9-5-7(1-3-10)8-2-4-13(11,12)6-8/h7-8H,1-6,10H2
InChIKeyHAZIZZULBUAASG-UHFFFAOYSA-N
XLogP0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine 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-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine (CID 115026484) is 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine is NCCC(CF)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine?
The InChIKey is HAZIZZULBUAASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-5-7(1-3-10)8-2-4-13(11,12)6-8/h7-8H,1-6,10H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine?
3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-4-fluorobutan-1-amine is sourced from PubChem (CID 115026484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).