8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide

C14H8ClFO3S — CID 162410470

IUPAC8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(c2ccccc2)Oc2c(Cl)cccc21
InChIInChI=1S/C14H8ClFO3S/c15-10-7-4-8-11-13(10)19-12(14(16)20(11,17)18)9-5-2-1-3-6-9/h1-8H
InChIKeySOXQVEZXDRNZHY-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.80
Rot. Bonds1

About 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide

8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide (PubChem CID 162410470) has the molecular formula C14H8ClFO3S and a molecular weight of 310.73 g/mol. Its IUPAC name is 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide.

Molecular Properties

Compound Name8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide
PubChem CID162410470
Molecular FormulaC14H8ClFO3S
Molecular Weight310.73 g/mol
Exact Mass309.99
IUPAC Name8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(c2ccccc2)Oc2c(Cl)cccc21
InChIInChI=1S/C14H8ClFO3S/c15-10-7-4-8-11-13(10)19-12(14(16)20(11,17)18)9-5-2-1-3-6-9/h1-8H
InChIKeySOXQVEZXDRNZHY-UHFFFAOYSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide?
The IUPAC name of 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide (CID 162410470) is 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide.
What is the SMILES notation for 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide?
The canonical SMILES for 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide is O=S1(=O)C(F)=C(c2ccccc2)Oc2c(Cl)cccc21.
What is the InChIKey of 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide?
The InChIKey is SOXQVEZXDRNZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFO3S/c15-10-7-4-8-11-13(10)19-12(14(16)20(11,17)18)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide?
8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide has a molecular weight of 310.73 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-fluoro-2-phenyl-1,4λ6-benzoxathiine 4,4-dioxide is sourced from PubChem (CID 162410470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).