2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

C17H13FO2 — CID 114725093

IUPAC2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)Cc3ccccc3F)oc12
InChIInChI=1S/C17H13FO2/c1-11-5-4-7-13-10-16(20-17(11)13)15(19)9-12-6-2-3-8-14(12)18/h2-8,10H,9H2,1H3
InChIKeyRWTDEPGZTNOVJI-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone

2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 114725093) has the molecular formula C17H13FO2 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
PubChem CID114725093
Molecular FormulaC17H13FO2
Molecular Weight268.29 g/mol
Exact Mass268.09
IUPAC Name2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
SMILESCc1cccc2cc(C(=O)Cc3ccccc3F)oc12
InChIInChI=1S/C17H13FO2/c1-11-5-4-7-13-10-16(20-17(11)13)15(19)9-12-6-2-3-8-14(12)18/h2-8,10H,9H2,1H3
InChIKeyRWTDEPGZTNOVJI-UHFFFAOYSA-N
XLogP4.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanone
CID 114725200
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
3-amino-1-(7-methyl-1-benzofuran-2-yl)butan-1-one
CID 114736309
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
(7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 112614517
1-(7-ethyl-1-benzofuran-2-yl)propan-1-one
CID 65427670
(7-methyl-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanone
CID 115808342
3-ethoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-one
CID 105132052
2-(4-chlorophenoxy)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 105132020

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone (CID 114725093) is 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is Cc1cccc2cc(C(=O)Cc3ccccc3F)oc12.
What is the InChIKey of 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is RWTDEPGZTNOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO2/c1-11-5-4-7-13-10-16(20-17(11)13)15(19)9-12-6-2-3-8-14(12)18/h2-8,10H,9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone?
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 268.29 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114725093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).