2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran

C13H12BrFO — CID 114735245

IUPAC2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran
SMILESC/C(=C/CCBr)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H12BrFO/c1-9(3-2-6-14)13-8-10-7-11(15)4-5-12(10)16-13/h3-5,7-8H,2,6H2,1H3/b9-3-
InChIKeySUZBJFPDTDUQHC-OQFOIZHKSA-N
MW283.14 g/mol
LogP4.76
Rot. Bonds3

About 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran

2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran (PubChem CID 114735245) has the molecular formula C13H12BrFO and a molecular weight of 283.14 g/mol. Its IUPAC name is 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran
PubChem CID114735245
Molecular FormulaC13H12BrFO
Molecular Weight283.14 g/mol
Exact Mass282.01
IUPAC Name2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran
SMILESC/C(=C/CCBr)c1cc2cc(F)ccc2o1
InChIInChI=1S/C13H12BrFO/c1-9(3-2-6-14)13-8-10-7-11(15)4-5-12(10)16-13/h3-5,7-8H,2,6H2,1H3/b9-3-
InChIKeySUZBJFPDTDUQHC-OQFOIZHKSA-N
XLogP4.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 54.76
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

2-[(Z)-5-chloropent-2-en-2-yl]-5-methyl-1-benzofuran
CID 114735233
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
1-(5-bromopent-2-en-2-yl)-3-fluoro-5-methylbenzene
CID 79705342
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107004043

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran?
The IUPAC name of 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran (CID 114735245) is 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran.
What is the SMILES notation for 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran?
The canonical SMILES for 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran is C/C(=C/CCBr)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran?
The InChIKey is SUZBJFPDTDUQHC-OQFOIZHKSA-N. The full InChI is InChI=1S/C13H12BrFO/c1-9(3-2-6-14)13-8-10-7-11(15)4-5-12(10)16-13/h3-5,7-8H,2,6H2,1H3/b9-3-.
What are the key properties of 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran?
2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran has a molecular weight of 283.14 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5-bromopent-2-en-2-yl]-5-fluoro-1-benzofuran is sourced from PubChem (CID 114735245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).