methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate

C11H11FO3 — CID 137332483

IUPACmethyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)CC1COc2ccc(F)cc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5,7H,4,6H2,1H3
InChIKeyIIBBHOPHFBAFNW-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.86
Rot. Bonds2

About methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate

methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate (PubChem CID 137332483) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
PubChem CID137332483
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
SMILESCOC(=O)CC1COc2ccc(F)cc21
InChIInChI=1S/C11H11FO3/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5,7H,4,6H2,1H3
InChIKeyIIBBHOPHFBAFNW-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran
CID 58740911
methyl 2-[6-fluoro-3-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-chromen-4-yl]propanoate
CID 155762833
methyl 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)acetate
CID 175222678
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanol
CID 22012245
O-[(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117201919
benzene-1,3-diol;methyl 2-(6-hydroxy-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 158789867
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
N-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methoxyacetamide
CID 110475783
ethyl 4-(6-fluoro-2,3-dihydro-1-benzofuran-3-yl)-3-oxobutanoate
CID 176861752
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
1-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117201926
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate (CID 137332483) is methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate is COC(=O)CC1COc2ccc(F)cc21.
What is the InChIKey of methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate?
The InChIKey is IIBBHOPHFBAFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-14-11(13)4-7-6-15-10-3-2-8(12)5-9(7)10/h2-3,5,7H,4,6H2,1H3.
What are the key properties of methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate?
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate has a molecular weight of 210.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 137332483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).