1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one

C15H17FO2 — CID 107891205

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H17FO2/c1-4-5-9(2)14(17)15-10(3)12-8-11(16)6-7-13(12)18-15/h6-9H,4-5H2,1-3H3
InChIKeyIWFQGKVMVHCWBA-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.50
Rot. Bonds4

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one (PubChem CID 107891205) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
PubChem CID107891205
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H17FO2/c1-4-5-9(2)14(17)15-10(3)12-8-11(16)6-7-13(12)18-15/h6-9H,4-5H2,1-3H3
InChIKeyIWFQGKVMVHCWBA-UHFFFAOYSA-N
XLogP4.50
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methoxybutanoic acid
CID 120702425
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 105099960
2-amino-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119306364

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one (CID 107891205) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one?
The InChIKey is IWFQGKVMVHCWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-4-5-9(2)14(17)15-10(3)12-8-11(16)6-7-13(12)18-15/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one has a molecular weight of 248.30 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).