1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone

C16H10ClFO2 — CID 114732126

IUPAC1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H10ClFO2/c1-9(19)10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8H,1H3
InChIKeyGNEHOZAKNJCTDO-UHFFFAOYSA-N
MW288.71 g/mol
LogP5.09
Rot. Bonds2

About 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone

1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone (PubChem CID 114732126) has the molecular formula C16H10ClFO2 and a molecular weight of 288.71 g/mol. Its IUPAC name is 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
PubChem CID114732126
Molecular FormulaC16H10ClFO2
Molecular Weight288.71 g/mol
Exact Mass288.04
IUPAC Name1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1
InChIInChI=1S/C16H10ClFO2/c1-9(19)10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8H,1H3
InChIKeyGNEHOZAKNJCTDO-UHFFFAOYSA-N
XLogP5.09
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.71
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,8-Trichlorodibenzofuran
CID 41131
2,6-Dichlorodibenzofuran
CID 43255
4-Chlorodibenzofuran
CID 53154
2-(Chloroacetyl)dibenzofuran
CID 2757441
3,6-Dichlorodibenzofuran
CID 53144
2,4,6-Trichlorodibenzofuran
CID 42838
1,6-Dichlorodibenzofuran
CID 53155
(4-Chlorophenyl)(3-methyl-1-benzofuran-2-yl)methanone
CID 186795
Methanone, 2-benzofuranyl(4-chlorophenyl)-
CID 838778
Ketone, dibenzofuran-2-yl (4-chlorophenyl)
CID 3039337
4-(7-Chloro-1-benzofuran-2-yl)phenol
CID 114735973
5,7-Dichloro-2-(4-methoxy-phenyl)-benzofuran
CID 10125487

Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone (CID 114732126) is 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(-c2cc3cccc(Cl)c3o2)c1.
What is the InChIKey of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone?
The InChIKey is GNEHOZAKNJCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFO2/c1-9(19)10-5-6-14(18)12(7-10)15-8-11-3-2-4-13(17)16(11)20-15/h2-8H,1H3.
What are the key properties of 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone?
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone has a molecular weight of 288.71 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone is sourced from PubChem (CID 114732126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).