5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

C14H10ClFO — CID 56932728

IUPAC5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C14H10ClFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2
InChIKeyQKLSICBLRVWRMK-UHFFFAOYSA-N
MW248.68 g/mol
LogP4.10
Rot. Bonds1

About 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran

5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (PubChem CID 56932728) has the molecular formula C14H10ClFO and a molecular weight of 248.68 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
PubChem CID56932728
Molecular FormulaC14H10ClFO
Molecular Weight248.68 g/mol
Exact Mass248.04
IUPAC Name5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran
SMILESFc1ccc(C2OCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C14H10ClFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2
InChIKeyQKLSICBLRVWRMK-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran (CID 56932728) is 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is Fc1ccc(C2OCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
The InChIKey is QKLSICBLRVWRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO/c15-11-3-6-13-10(7-11)8-17-14(13)9-1-4-12(16)5-2-9/h1-7,14H,8H2.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran?
5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran has a molecular weight of 248.68 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 56932728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).