3-(4-chlorophenyl)-5-fluoro-1-benzofuran

C14H8ClFO — CID 135075530

IUPAC3-(4-chlorophenyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C14H8ClFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H
InChIKeyDSDPRPVUBYQGIM-UHFFFAOYSA-N
MW246.67 g/mol
LogP4.89
Rot. Bonds1

About 3-(4-chlorophenyl)-5-fluoro-1-benzofuran

3-(4-chlorophenyl)-5-fluoro-1-benzofuran (PubChem CID 135075530) has the molecular formula C14H8ClFO and a molecular weight of 246.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-fluoro-1-benzofuran.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-fluoro-1-benzofuran
PubChem CID135075530
Molecular FormulaC14H8ClFO
Molecular Weight246.67 g/mol
Exact Mass246.02
IUPAC Name3-(4-chlorophenyl)-5-fluoro-1-benzofuran
SMILESFc1ccc2occ(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C14H8ClFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H
InChIKeyDSDPRPVUBYQGIM-UHFFFAOYSA-N
XLogP4.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-fluoro-1-benzofuran?
The IUPAC name of 3-(4-chlorophenyl)-5-fluoro-1-benzofuran (CID 135075530) is 3-(4-chlorophenyl)-5-fluoro-1-benzofuran.
What is the SMILES notation for 3-(4-chlorophenyl)-5-fluoro-1-benzofuran?
The canonical SMILES for 3-(4-chlorophenyl)-5-fluoro-1-benzofuran is Fc1ccc2occ(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-fluoro-1-benzofuran?
The InChIKey is DSDPRPVUBYQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFO/c15-10-3-1-9(2-4-10)13-8-17-14-6-5-11(16)7-12(13)14/h1-8H.
What are the key properties of 3-(4-chlorophenyl)-5-fluoro-1-benzofuran?
3-(4-chlorophenyl)-5-fluoro-1-benzofuran has a molecular weight of 246.67 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-fluoro-1-benzofuran is sourced from PubChem (CID 135075530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).