6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran

C18H12F2O — CID 56931621

IUPAC6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran
SMILESFc1ccc(-c2c3c(cc4ccc(F)cc24)COC3)cc1
InChIInChI=1S/C18H12F2O/c19-14-4-1-11(2-5-14)18-16-8-15(20)6-3-12(16)7-13-9-21-10-17(13)18/h1-8H,9-10H2
InChIKeyNKKSFSLCIYLIOG-UHFFFAOYSA-N
MW282.29 g/mol
LogP4.82
Rot. Bonds1

About 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran

6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran (PubChem CID 56931621) has the molecular formula C18H12F2O and a molecular weight of 282.29 g/mol. Its IUPAC name is 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran.

Molecular Properties

Compound Name6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran
PubChem CID56931621
Molecular FormulaC18H12F2O
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran
SMILESFc1ccc(-c2c3c(cc4ccc(F)cc24)COC3)cc1
InChIInChI=1S/C18H12F2O/c19-14-4-1-11(2-5-14)18-16-8-15(20)6-3-12(16)7-13-9-21-10-17(13)18/h1-8H,9-10H2
InChIKeyNKKSFSLCIYLIOG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The IUPAC name of 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran (CID 56931621) is 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran.
What is the SMILES notation for 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The canonical SMILES for 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran is Fc1ccc(-c2c3c(cc4ccc(F)cc24)COC3)cc1.
What is the InChIKey of 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran?
The InChIKey is NKKSFSLCIYLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2O/c19-14-4-1-11(2-5-14)18-16-8-15(20)6-3-12(16)7-13-9-21-10-17(13)18/h1-8H,9-10H2.
What are the key properties of 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran?
6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran has a molecular weight of 282.29 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-fluorophenyl)-1,3-dihydrobenzo[f][2]benzofuran is sourced from PubChem (CID 56931621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).