3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide

C18H11FO3S — CID 162410304

IUPAC3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(c2ccc3ccccc3c2)Oc2ccccc21
InChIInChI=1S/C18H11FO3S/c19-18-17(14-10-9-12-5-1-2-6-13(12)11-14)22-15-7-3-4-8-16(15)23(18,20)21/h1-11H
InChIKeyWCXSBJVJRICNRQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.30
Rot. Bonds1

About 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide

3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide (PubChem CID 162410304) has the molecular formula C18H11FO3S and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide.

Molecular Properties

Compound Name3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide
PubChem CID162410304
Molecular FormulaC18H11FO3S
Molecular Weight326.35 g/mol
Exact Mass326.04
IUPAC Name3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide
SMILESO=S1(=O)C(F)=C(c2ccc3ccccc3c2)Oc2ccccc21
InChIInChI=1S/C18H11FO3S/c19-18-17(14-10-9-12-5-1-2-6-13(12)11-14)22-15-7-3-4-8-16(15)23(18,20)21/h1-11H
InChIKeyWCXSBJVJRICNRQ-UHFFFAOYSA-N
XLogP4.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4''-Methanesulfonyl-biphenyl-2-yl)-6-methoxy-naphthalene
CID 44383630
3-Fluoro-2-(4-phenylphenyl)-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162410469
3-Fluoro-2-phenyl-1,4lambda6-benzoxathiine 4,4-dioxide
CID 162412570
4-Fluoro-2-(2-naphthalen-1-yl-ethoxy)-benzenesulfonyl chloride
CID 22504018
1-(2,5-Difluoro-4-methylsulfonylphenoxy)-7-fluoro-2-methylnaphthalene
CID 67305197
2-[1,1-Bis(benzenesulfonyl)-1-fluorobut-3-en-2-yl]-6-methoxynaphthalene
CID 75040698
4-Trifluoromethanesulfonylbenzo[kl]xanthene
CID 86702312
4-Fluoro-2-(2-naphthalen-2-ylethoxy)benzenesulfonyl chloride
CID 87952281
2-[3-(6-Fluorotriphenylen-2-yl)phenyl]phenoxathiine
CID 88923487
4-(3-Fluoro-5-triphenylen-2-ylphenyl)phenoxathiine
CID 88923531
4-[3-(6-Fluorotriphenylen-2-yl)phenyl]phenoxathiine
CID 88923705
2-(3-Fluoro-5-triphenylen-2-ylphenyl)phenoxathiine
CID 88923786

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide?
The IUPAC name of 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide (CID 162410304) is 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide.
What is the SMILES notation for 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide?
The canonical SMILES for 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide is O=S1(=O)C(F)=C(c2ccc3ccccc3c2)Oc2ccccc21.
What is the InChIKey of 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide?
The InChIKey is WCXSBJVJRICNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FO3S/c19-18-17(14-10-9-12-5-1-2-6-13(12)11-14)22-15-7-3-4-8-16(15)23(18,20)21/h1-11H.
What are the key properties of 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide?
3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide has a molecular weight of 326.35 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-naphthalen-2-yl-1,4λ6-benzoxathiine 4,4-dioxide is sourced from PubChem (CID 162410304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).