1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one

C11H11FO2 — CID 117284369

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
SMILESCC(=O)Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H11FO2/c1-7(13)6-9-8-4-5-14-11(8)3-2-10(9)12/h2-3H,4-6H2,1H3
InChIKeyVSMPMZDFWACWCF-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.89
Rot. Bonds2

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one

1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one (PubChem CID 117284369) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
PubChem CID117284369
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
SMILESCC(=O)Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H11FO2/c1-7(13)6-9-8-4-5-14-11(8)3-2-10(9)12/h2-3H,4-6H2,1H3
InChIKeyVSMPMZDFWACWCF-UHFFFAOYSA-N
XLogP1.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
CID 117315948
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117414944
3-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclopentan-1-amine
CID 117315938
ethyl 2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117352699
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
6-ethyl-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 141142809

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one (CID 117284369) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one is CC(=O)Cc1c(F)ccc2c1CCO2.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one?
The InChIKey is VSMPMZDFWACWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(13)6-9-8-4-5-14-11(8)3-2-10(9)12/h2-3H,4-6H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one?
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one has a molecular weight of 194.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one is sourced from PubChem (CID 117284369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).