5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran

C12H13FO2 — CID 117175998

IUPAC5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1cc2cc(F)ccc2o1
InChIInChI=1S/C12H13FO2/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8H,7H2,1-2H3
InChIKeyOWBIFLYGNYHWCZ-UHFFFAOYSA-N
MW208.23 g/mol
LogP3.50
Rot. Bonds3

About 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran

5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran (PubChem CID 117175998) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
PubChem CID117175998
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran
SMILESCC(C)OCc1cc2cc(F)ccc2o1
InChIInChI=1S/C12H13FO2/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8H,7H2,1-2H3
InChIKeyOWBIFLYGNYHWCZ-UHFFFAOYSA-N
XLogP3.50
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
5-fluoro-2-[(2-methoxyphenoxy)methyl]-1-benzofuran
CID 117175918
6-chloro-2-(propan-2-yloxymethyl)-1-benzofuran
CID 117179425
N-tert-butyl-3-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733542
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
1-(5-fluoro-1-benzofuran-2-yl)-2-methoxyethanamine
CID 114728098
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
1,4-difluoro-2-(propan-2-yloxymethyl)benzene
CID 58479340
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706
2-ethoxy-1-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114731292
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran?
The IUPAC name of 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran (CID 117175998) is 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran.
What is the SMILES notation for 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran?
The canonical SMILES for 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran is CC(C)OCc1cc2cc(F)ccc2o1.
What is the InChIKey of 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran?
The InChIKey is OWBIFLYGNYHWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-8(2)14-7-11-6-9-5-10(13)3-4-12(9)15-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran?
5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran has a molecular weight of 208.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(propan-2-yloxymethyl)-1-benzofuran is sourced from PubChem (CID 117175998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).