7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran

C24H12F2O2 — CID 71108525

IUPAC7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran
SMILESFc1ccc2c(ccc3oc(-c4cc5c(ccc6cc(F)ccc65)o4)cc32)c1
InChIInChI=1S/C24H12F2O2/c25-15-3-5-17-13(9-15)1-7-21-19(17)11-23(27-21)24-12-20-18-6-4-16(26)10-14(18)2-8-22(20)28-24/h1-12H
InChIKeyYUDIPXDKPXXLRQ-UHFFFAOYSA-N
MW370.35 g/mol
LogP7.43
Rot. Bonds1

About 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran

7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran (PubChem CID 71108525) has the molecular formula C24H12F2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran
PubChem CID71108525
Molecular FormulaC24H12F2O2
Molecular Weight370.35 g/mol
Exact Mass370.08
IUPAC Name7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran
SMILESFc1ccc2c(ccc3oc(-c4cc5c(ccc6cc(F)ccc65)o4)cc32)c1
InChIInChI=1S/C24H12F2O2/c25-15-3-5-17-13(9-15)1-7-21-19(17)11-23(27-21)24-12-20-18-6-4-16(26)10-14(18)2-8-22(20)28-24/h1-12H
InChIKeyYUDIPXDKPXXLRQ-UHFFFAOYSA-N
XLogP7.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.35
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran?
The IUPAC name of 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran (CID 71108525) is 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran.
What is the SMILES notation for 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran?
The canonical SMILES for 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran is Fc1ccc2c(ccc3oc(-c4cc5c(ccc6cc(F)ccc65)o4)cc32)c1.
What is the InChIKey of 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran?
The InChIKey is YUDIPXDKPXXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F2O2/c25-15-3-5-17-13(9-15)1-7-21-19(17)11-23(27-21)24-12-20-18-6-4-16(26)10-14(18)2-8-22(20)28-24/h1-12H.
What are the key properties of 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran?
7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran has a molecular weight of 370.35 g/mol, XLogP of 7.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran is sourced from PubChem (CID 71108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).