7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran

C15H12F2O — CID 69108323

IUPAC7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3cccc(F)c3F)c2O1
InChIInChI=1S/C15H12F2O/c1-9-8-10-4-2-6-12(15(10)18-9)11-5-3-7-13(16)14(11)17/h2-7,9H,8H2,1H3
InChIKeyYIYNWTQXLZYQTN-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.96
Rot. Bonds1

About 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran

7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 69108323) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID69108323
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCC1Cc2cccc(-c3cccc(F)c3F)c2O1
InChIInChI=1S/C15H12F2O/c1-9-8-10-4-2-6-12(15(10)18-9)11-5-3-7-13(16)14(11)17/h2-7,9H,8H2,1H3
InChIKeyYIYNWTQXLZYQTN-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran (CID 69108323) is 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is CC1Cc2cccc(-c3cccc(F)c3F)c2O1.
What is the InChIKey of 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is YIYNWTQXLZYQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-8-10-4-2-6-12(15(10)18-9)11-5-3-7-13(16)14(11)17/h2-7,9H,8H2,1H3.
What are the key properties of 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran?
7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 246.26 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 69108323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).