2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran

C12H10ClFO — CID 114735224

IUPAC2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran
SMILESFc1ccc2oc(/C=C/CCCl)cc2c1
InChIInChI=1S/C12H10ClFO/c13-6-2-1-3-11-8-9-7-10(14)4-5-12(9)15-11/h1,3-5,7-8H,2,6H2/b3-1+
InChIKeyJTCVYHWWRGEQHZ-HNQUOIGGSA-N
MW224.66 g/mol
LogP4.21
Rot. Bonds3

About 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran

2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran (PubChem CID 114735224) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran
PubChem CID114735224
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran
SMILESFc1ccc2oc(/C=C/CCCl)cc2c1
InChIInChI=1S/C12H10ClFO/c13-6-2-1-3-11-8-9-7-10(14)4-5-12(9)15-11/h1,3-5,7-8H,2,6H2/b3-1+
InChIKeyJTCVYHWWRGEQHZ-HNQUOIGGSA-N
XLogP4.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzofuran
CID 9223
Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2-Methylbenzofuran
CID 20263
2-Acetylbenzofuran
CID 15435
Benzo[b]furan-2-boronic acid
CID 2776266
Benzofurans
CID 253613
2-Benzofurancarbonyl chloride
CID 38949
2-Benzofurancarbonitrile
CID 38950
2-Phenyl-benzofuran
CID 3517936
Dibenzofuran, 4-methyl-
CID 43489
5-Methyl-2-phenyl-1-benzofuran
CID 1211950

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran?
The IUPAC name of 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran (CID 114735224) is 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran.
What is the SMILES notation for 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran?
The canonical SMILES for 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran is Fc1ccc2oc(/C=C/CCCl)cc2c1.
What is the InChIKey of 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran?
The InChIKey is JTCVYHWWRGEQHZ-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H10ClFO/c13-6-2-1-3-11-8-9-7-10(14)4-5-12(9)15-11/h1,3-5,7-8H,2,6H2/b3-1+.
What are the key properties of 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran?
2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran has a molecular weight of 224.66 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-chlorobut-1-enyl]-5-fluoro-1-benzofuran is sourced from PubChem (CID 114735224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).