5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran

C15H12BrFO — CID 154715018

IUPAC5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFC(c1ccccc1)C1COc2ccc(Br)cc21
InChIInChI=1S/C15H12BrFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2
InChIKeyLVPGGRBKPSSPBC-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.64
Rot. Bonds2

About 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran

5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 154715018) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID154715018
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFC(c1ccccc1)C1COc2ccc(Br)cc21
InChIInChI=1S/C15H12BrFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2
InChIKeyLVPGGRBKPSSPBC-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran (CID 154715018) is 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran is FC(c1ccccc1)C1COc2ccc(Br)cc21.
What is the InChIKey of 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is LVPGGRBKPSSPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-11-6-7-14-12(8-11)13(9-18-14)15(17)10-4-2-1-3-5-10/h1-8,13,15H,9H2.
What are the key properties of 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran?
5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 307.16 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[fluoro(phenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 154715018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).