3-(chloromethyl)-5-fluoro-1-benzofuran

C9H6ClFO — CID 18184314

IUPAC3-(chloromethyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(CCl)c2c1
InChIInChI=1S/C9H6ClFO/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChIKeyOJXGBTBXZMEQFE-UHFFFAOYSA-N
MW184.60 g/mol
LogP3.31
Rot. Bonds1

About 3-(chloromethyl)-5-fluoro-1-benzofuran

3-(chloromethyl)-5-fluoro-1-benzofuran (PubChem CID 18184314) has the molecular formula C9H6ClFO and a molecular weight of 184.60 g/mol. Its IUPAC name is 3-(chloromethyl)-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-(chloromethyl)-5-fluoro-1-benzofuran
PubChem CID18184314
Molecular FormulaC9H6ClFO
Molecular Weight184.60 g/mol
Exact Mass184.01
IUPAC Name3-(chloromethyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(CCl)c2c1
InChIInChI=1S/C9H6ClFO/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChIKeyOJXGBTBXZMEQFE-UHFFFAOYSA-N
XLogP3.31
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 53.31
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-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
CID 117174340
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
CID 117174223
3-(chloromethyl)-6-fluoro-5-methyl-1-benzofuran
CID 118564137
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
N-tert-butyl-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 110488706
3-(chloromethyl)-5-fluoro-6-(trifluoromethyl)-1-benzofuran
CID 90300157
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
2-(5-fluoro-1-benzofuran-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110488687
3-[[2-(5-fluoro-1-benzofuran-3-yl)acetyl]amino]propanoic acid
CID 110488680
N-(3-chlorophenyl)-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860141

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-fluoro-1-benzofuran?
The IUPAC name of 3-(chloromethyl)-5-fluoro-1-benzofuran (CID 18184314) is 3-(chloromethyl)-5-fluoro-1-benzofuran.
What is the SMILES notation for 3-(chloromethyl)-5-fluoro-1-benzofuran?
The canonical SMILES for 3-(chloromethyl)-5-fluoro-1-benzofuran is Fc1ccc2occ(CCl)c2c1.
What is the InChIKey of 3-(chloromethyl)-5-fluoro-1-benzofuran?
The InChIKey is OJXGBTBXZMEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFO/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2.
What are the key properties of 3-(chloromethyl)-5-fluoro-1-benzofuran?
3-(chloromethyl)-5-fluoro-1-benzofuran has a molecular weight of 184.60 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-fluoro-1-benzofuran is sourced from PubChem (CID 18184314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).