3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one

C13H9FO2 — CID 114733240

IUPAC3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C13H9FO2/c14-10-2-4-12-9(5-10)7-13(16-12)8-1-3-11(15)6-8/h2,4-7H,1,3H2
InChIKeyKZPPXORJOGAOSF-UHFFFAOYSA-N
MW216.21 g/mol
LogP3.32
Rot. Bonds1

About 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one

3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one (PubChem CID 114733240) has the molecular formula C13H9FO2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
PubChem CID114733240
Molecular FormulaC13H9FO2
Molecular Weight216.21 g/mol
Exact Mass216.06
IUPAC Name3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2cc3cc(F)ccc3o2)CC1
InChIInChI=1S/C13H9FO2/c14-10-2-4-12-9(5-10)7-13(16-12)8-1-3-11(15)6-8/h2,4-7H,1,3H2
InChIKeyKZPPXORJOGAOSF-UHFFFAOYSA-N
XLogP3.32
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521
2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770178
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
7-fluoro-2-(7-fluorobenzo[e][1]benzofuran-2-yl)benzo[e][1]benzofuran
CID 71108525
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
2-tert-butyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770179
N-tert-butyl-6-fluoro-2-oxochromene-3-carboxamide
CID 110486861
6-fluoro-N,N-dimethyl-2-oxochromene-3-carboxamide
CID 110486839

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one (CID 114733240) is 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one is O=C1C=C(c2cc3cc(F)ccc3o2)CC1.
What is the InChIKey of 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one?
The InChIKey is KZPPXORJOGAOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2/c14-10-2-4-12-9(5-10)7-13(16-12)8-1-3-11(15)6-8/h2,4-7H,1,3H2.
What are the key properties of 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one?
3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one has a molecular weight of 216.21 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzofuran-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 114733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).