2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone

C17H19FO2 — CID 115808809

IUPAC2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H19FO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2
InChIKeyARADEWUUKUYACR-UHFFFAOYSA-N
MW274.33 g/mol
LogP5.12
Rot. Bonds3

About 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone

2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone (PubChem CID 115808809) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
PubChem CID115808809
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
SMILESO=C(CC1CCCCCC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H19FO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2
InChIKeyARADEWUUKUYACR-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

1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
2-(4-aminophenyl)-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114736180
2-cycloheptyl-1-(2,4-difluorophenyl)ethanone
CID 114457285
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
2-cyclohexyl-1-(4-fluorophenyl)ethanone
CID 12505091
2-cyclohexyl-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 115808413
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-cyclohexyl-1-(2,4,6-trifluorophenyl)ethanone
CID 43338505
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone (CID 115808809) is 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone is O=C(CC1CCCCCC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
The InChIKey is ARADEWUUKUYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c18-14-7-8-16-13(10-14)11-17(20-16)15(19)9-12-5-3-1-2-4-6-12/h7-8,10-12H,1-6,9H2.
What are the key properties of 2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone?
2-cycloheptyl-1-(5-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-(5-fluoro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 115808809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).