2,3-dibromo-4-fluorothiolane 1,1-dioxide

C4H5Br2FO2S — CID 15468464

IUPAC2,3-dibromo-4-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)C(Br)C1Br
InChIInChI=1S/C4H5Br2FO2S/c5-3-2(7)1-10(8,9)4(3)6/h2-4H,1H2
InChIKeyVVSLVNWCDJJTJS-UHFFFAOYSA-N
MW295.96 g/mol
LogP1.24
Rot. Bonds

About 2,3-dibromo-4-fluorothiolane 1,1-dioxide

2,3-dibromo-4-fluorothiolane 1,1-dioxide (PubChem CID 15468464) has the molecular formula C4H5Br2FO2S and a molecular weight of 295.96 g/mol. Its IUPAC name is 2,3-dibromo-4-fluorothiolane 1,1-dioxide.

Molecular Properties

Compound Name2,3-dibromo-4-fluorothiolane 1,1-dioxide
PubChem CID15468464
Molecular FormulaC4H5Br2FO2S
Molecular Weight295.96 g/mol
Exact Mass293.84
IUPAC Name2,3-dibromo-4-fluorothiolane 1,1-dioxide
SMILESO=S1(=O)CC(F)C(Br)C1Br
InChIInChI=1S/C4H5Br2FO2S/c5-3-2(7)1-10(8,9)4(3)6/h2-4H,1H2
InChIKeyVVSLVNWCDJJTJS-UHFFFAOYSA-N
XLogP1.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-2-bromo-1,1-dioxothiolan-3-ol
CID 95066177
(2S,3R)-2-bromo-1,1-dioxothiolan-3-ol
CID 95066178
(2S,3R,4S)-3,4-dibromo-2-methylthiolane 1,1-dioxide
CID 99940270
(3R,5S)-1,1-dioxo-5-(trifluoromethyl)thiolan-3-amine
CID 170914011
4-fluoro-1,1-dioxothiolane-3-carboxylic acid
CID 83854510
2,2,4-trifluoro-3-methylthiolane 1,1-dioxide
CID 66729999
2,4-bis(trifluoromethyl)thiolane 1,1-dioxide
CID 87341196
2-fluoro-2-methylthiolane 1,1-dioxide;2-fluoro-4-methylthiolane 1,1-dioxide
CID 157288863
(3S,4S)-1,1-dioxothiolane-3,4-diol
CID 7059048
5-fluoro-1,1-dioxothiazinan-3-one
CID 129064400
2-bromo-2,5-dihydrothiophene 1,1-dioxide
CID 100947043
5-ethynyl-4-fluorooxathiolane 2,2-dioxide
CID 88889801

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4-fluorothiolane 1,1-dioxide?
The IUPAC name of 2,3-dibromo-4-fluorothiolane 1,1-dioxide (CID 15468464) is 2,3-dibromo-4-fluorothiolane 1,1-dioxide.
What is the SMILES notation for 2,3-dibromo-4-fluorothiolane 1,1-dioxide?
The canonical SMILES for 2,3-dibromo-4-fluorothiolane 1,1-dioxide is O=S1(=O)CC(F)C(Br)C1Br.
What is the InChIKey of 2,3-dibromo-4-fluorothiolane 1,1-dioxide?
The InChIKey is VVSLVNWCDJJTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Br2FO2S/c5-3-2(7)1-10(8,9)4(3)6/h2-4H,1H2.
What are the key properties of 2,3-dibromo-4-fluorothiolane 1,1-dioxide?
2,3-dibromo-4-fluorothiolane 1,1-dioxide has a molecular weight of 295.96 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4-fluorothiolane 1,1-dioxide is sourced from PubChem (CID 15468464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).