5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

C14H10BrFO — CID 70120162

IUPAC5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(-c2c(Br)ccc3c2COC3)cc1
InChIInChI=1S/C14H10BrFO/c15-13-6-3-10-7-17-8-12(10)14(13)9-1-4-11(16)5-2-9/h1-6H,7-8H2
InChIKeyBNDHVPKJAMHBTA-UHFFFAOYSA-N
MW293.13 g/mol
LogP4.29
Rot. Bonds1

About 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (PubChem CID 70120162) has the molecular formula C14H10BrFO and a molecular weight of 293.13 g/mol. Its IUPAC name is 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
PubChem CID70120162
Molecular FormulaC14H10BrFO
Molecular Weight293.13 g/mol
Exact Mass291.99
IUPAC Name5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(-c2c(Br)ccc3c2COC3)cc1
InChIInChI=1S/C14H10BrFO/c15-13-6-3-10-7-17-8-12(10)14(13)9-1-4-11(16)5-2-9/h1-6H,7-8H2
InChIKeyBNDHVPKJAMHBTA-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (CID 70120162) is 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is Fc1ccc(-c2c(Br)ccc3c2COC3)cc1.
What is the InChIKey of 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The InChIKey is BNDHVPKJAMHBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO/c15-13-6-3-10-7-17-8-12(10)14(13)9-1-4-11(16)5-2-9/h1-6H,7-8H2.
What are the key properties of 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran has a molecular weight of 293.13 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 70120162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).