3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide

C10H10BrFO3S — CID 81331541

IUPAC3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C10H10BrFO3S/c11-7-3-8(12)5-10(4-7)15-9-1-2-16(13,14)6-9/h3-5,9H,1-2,6H2
InChIKeyQLXXVPRPXMSQMV-UHFFFAOYSA-N
MW309.16 g/mol
LogP2.15
Rot. Bonds2

About 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide

3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide (PubChem CID 81331541) has the molecular formula C10H10BrFO3S and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide
PubChem CID81331541
Molecular FormulaC10H10BrFO3S
Molecular Weight309.16 g/mol
Exact Mass307.95
IUPAC Name3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Oc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C10H10BrFO3S/c11-7-3-8(12)5-10(4-7)15-9-1-2-16(13,14)6-9/h3-5,9H,1-2,6H2
InChIKeyQLXXVPRPXMSQMV-UHFFFAOYSA-N
XLogP2.15
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide (CID 81331541) is 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide is O=S1(=O)CCC(Oc2cc(F)cc(Br)c2)C1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide?
The InChIKey is QLXXVPRPXMSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3S/c11-7-3-8(12)5-10(4-7)15-9-1-2-16(13,14)6-9/h3-5,9H,1-2,6H2.
What are the key properties of 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide?
3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide has a molecular weight of 309.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 81331541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).