3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran

C20H14F2O7S2 — CID 171538181

IUPAC3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran
SMILESO=S(=O)(F)Oc1ccc(C2(c3ccc(OS(=O)(=O)F)cc3)COc3ccccc32)cc1
InChIInChI=1S/C20H14F2O7S2/c21-30(23,24)28-16-9-5-14(6-10-16)20(13-27-19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)29-31(22,25)26/h1-12H,13H2
InChIKeyUWJRYVHUZAVPRQ-UHFFFAOYSA-N
MW468.46 g/mol
LogP3.60
Rot. Bonds6

About 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran

3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran (PubChem CID 171538181) has the molecular formula C20H14F2O7S2 and a molecular weight of 468.46 g/mol. Its IUPAC name is 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran.

Molecular Properties

Compound Name3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran
PubChem CID171538181
Molecular FormulaC20H14F2O7S2
Molecular Weight468.46 g/mol
Exact Mass468.01
IUPAC Name3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran
SMILESO=S(=O)(F)Oc1ccc(C2(c3ccc(OS(=O)(=O)F)cc3)COc3ccccc32)cc1
InChIInChI=1S/C20H14F2O7S2/c21-30(23,24)28-16-9-5-14(6-10-16)20(13-27-19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)29-31(22,25)26/h1-12H,13H2
InChIKeyUWJRYVHUZAVPRQ-UHFFFAOYSA-N
XLogP3.60
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
3,3-dibromo-2H-1-benzofuran
CID 70451620
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10821793
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546
(3R)-3-phenyl-2H-1-benzofuran-3-amine
CID 138979222
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
4-fluorosulfonyloxypyridine
CID 86171970
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
(4-fluorosulfonyloxyphenyl) cyanate
CID 144973771
2-(2'-oxospiro[2H-1-benzofuran-3,3'-indole]-1'-yl)acetaldehyde
CID 59352677
(3R)-3-(2-methoxyphenyl)-2H-1-benzofuran-3-ol
CID 154718242
2-(3-fluoro-2H-1-benzofuran-3-yl)acetic acid
CID 83818671

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran?
The IUPAC name of 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran (CID 171538181) is 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran.
What is the SMILES notation for 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran?
The canonical SMILES for 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran is O=S(=O)(F)Oc1ccc(C2(c3ccc(OS(=O)(=O)F)cc3)COc3ccccc32)cc1.
What is the InChIKey of 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran?
The InChIKey is UWJRYVHUZAVPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O7S2/c21-30(23,24)28-16-9-5-14(6-10-16)20(13-27-19-4-2-1-3-18(19)20)15-7-11-17(12-8-15)29-31(22,25)26/h1-12H,13H2.
What are the key properties of 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran?
3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran has a molecular weight of 468.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorosulfonyloxyphenyl)-2H-1-benzofuran is sourced from PubChem (CID 171538181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).