1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one

C11H11FO2 — CID 117284367

IUPAC1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(cc1F)OCC2
InChIInChI=1S/C11H11FO2/c1-7(13)4-9-5-8-2-3-14-11(8)6-10(9)12/h5-6H,2-4H2,1H3
InChIKeyCREKQBHUCHGMNH-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.89
Rot. Bonds2

About 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one

1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one (PubChem CID 117284367) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
PubChem CID117284367
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
SMILESCC(=O)Cc1cc2c(cc1F)OCC2
InChIInChI=1S/C11H11FO2/c1-7(13)4-9-5-8-2-3-14-11(8)6-10(9)12/h5-6H,2-4H2,1H3
InChIKeyCREKQBHUCHGMNH-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-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117322838
6-fluoro-5-(isocyanatomethyl)-2,3-dihydro-1-benzofuran
CID 117283360
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
ethyl 2-chloro-2-[2-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)hydrazinyl]acetate
CID 123216694
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
3-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)methyl-hydroxyamino]-2,2-dimethyl-3-oxopropanoic acid
CID 177043559
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
N-[3-[4-[(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]-6-methoxy-3,5-dioxo-1,2,4-triazin-2-yl]phenyl]acetamide
CID 68701106
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one (CID 117284367) is 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one is CC(=O)Cc1cc2c(cc1F)OCC2.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one?
The InChIKey is CREKQBHUCHGMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7(13)4-9-5-8-2-3-14-11(8)6-10(9)12/h5-6H,2-4H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one?
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-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-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one is sourced from PubChem (CID 117284367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).