2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone

C17H19FO2 — CID 115809805

IUPAC2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H19FO2/c18-14-9-5-8-13-11-16(20-17(13)14)15(19)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyMLXXSXHQOHOOQA-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.12
Rot. Bonds3

About 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone

2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 115809805) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID115809805
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H19FO2/c18-14-9-5-8-13-11-16(20-17(13)14)15(19)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2
InChIKeyMLXXSXHQOHOOQA-UHFFFAOYSA-N
XLogP5.12
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
1-(7-fluoro-1-benzofuran-2-yl)-2-morpholin-2-ylethanone
CID 114736887
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
1-(7-methyl-1-benzofuran-2-yl)-2-piperidin-4-ylethanone
CID 114736371
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114725353
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone (CID 115809805) is 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone is O=C(CC1CCCCCC1)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is MLXXSXHQOHOOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-14-9-5-8-13-11-16(20-17(13)14)15(19)10-12-6-3-1-2-4-7-12/h5,8-9,11-12H,1-4,6-7,10H2.
What are the key properties of 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone?
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone has a molecular weight of 274.33 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 115809805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).