5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran

C15H11BrF2O — CID 61097885

IUPAC5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C15H11BrF2O/c16-15(12-3-2-11(17)8-13(12)18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6H2
InChIKeyABBRMASNBDDLBA-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.38
Rot. Bonds2

About 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran

5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran (PubChem CID 61097885) has the molecular formula C15H11BrF2O and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
PubChem CID61097885
Molecular FormulaC15H11BrF2O
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCO3)c(F)c1
InChIInChI=1S/C15H11BrF2O/c16-15(12-3-2-11(17)8-13(12)18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6H2
InChIKeyABBRMASNBDDLBA-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[bromo-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81477363
5-[bromo-(2,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 63447758
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
5-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63439179
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
6-[bromo-(2,5-difluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61097695
[(2,5-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105219495
5-[bromo-(2-bromo-5-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81112440
5-[bromo-(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097281
1-(2-bromo-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482575
7-[bromo-(4-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63436931
1-(2,4-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)ethanamine
CID 43804303

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran (CID 61097885) is 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran is Fc1ccc(C(Br)c2ccc3c(c2)CCO3)c(F)c1.
What is the InChIKey of 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is ABBRMASNBDDLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O/c16-15(12-3-2-11(17)8-13(12)18)10-1-4-14-9(7-10)5-6-19-14/h1-4,7-8,15H,5-6H2.
What are the key properties of 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran?
5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 325.15 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61097885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).