2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran

C17H15BrClFO — CID 79438173

IUPAC2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(CC(CCl)c1ccccc1Br)O2
InChIInChI=1S/C17H15BrClFO/c18-16-4-2-1-3-15(16)12(10-19)9-14-8-11-7-13(20)5-6-17(11)21-14/h1-7,12,14H,8-10H2
InChIKeyZHBIXHFHOPMOIG-UHFFFAOYSA-N
MW369.66 g/mol
LogP5.30
Rot. Bonds4

About 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran

2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 79438173) has the molecular formula C17H15BrClFO and a molecular weight of 369.66 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID79438173
Molecular FormulaC17H15BrClFO
Molecular Weight369.66 g/mol
Exact Mass368.00
IUPAC Name2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(CC(CCl)c1ccccc1Br)O2
InChIInChI=1S/C17H15BrClFO/c18-16-4-2-1-3-15(16)12(10-19)9-14-8-11-7-13(20)5-6-17(11)21-14/h1-7,12,14H,8-10H2
InChIKeyZHBIXHFHOPMOIG-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.66
LogP ≤ 55.30
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

3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79437375
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279
2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 79431432
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
1-bromo-2-[2-(2-bromophenyl)-3-chloropropyl]-4-fluorobenzene
CID 79454251
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79431712
2-(3-bromobutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360114
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79433736
1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran (CID 79438173) is 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran is Fc1ccc2c(c1)CC(CC(CCl)c1ccccc1Br)O2.
What is the InChIKey of 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is ZHBIXHFHOPMOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClFO/c18-16-4-2-1-3-15(16)12(10-19)9-14-8-11-7-13(20)5-6-17(11)21-14/h1-7,12,14H,8-10H2.
What are the key properties of 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran?
2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 369.66 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 79438173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).