2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone

C14H13FO2 — CID 105373368

IUPAC2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1occc1C
InChIInChI=1S/C14H13FO2/c1-9-3-4-12(15)7-11(9)8-13(16)14-10(2)5-6-17-14/h3-7H,8H2,1-2H3
InChIKeyXWHYZPYUMZNGQI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone

2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone (PubChem CID 105373368) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
PubChem CID105373368
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone
SMILESCc1ccc(F)cc1CC(=O)c1occc1C
InChIInChI=1S/C14H13FO2/c1-9-3-4-12(15)7-11(9)8-13(16)14-10(2)5-6-17-14/h3-7H,8H2,1-2H3
InChIKeyXWHYZPYUMZNGQI-UHFFFAOYSA-N
XLogP3.46
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376889
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(5-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethanone
CID 105373215
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823
(4-fluorophenyl)-(3-methylfuran-2-yl)methanone
CID 43462648
2-(4-iodophenyl)-1-(3-methylfuran-2-yl)ethanone
CID 104799652
1-(3-bromofuran-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 64561569
2-(5-fluoro-2-methylphenyl)-1-thiophen-3-ylethanone
CID 105373155

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone (CID 105373368) is 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone is Cc1ccc(F)cc1CC(=O)c1occc1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone?
The InChIKey is XWHYZPYUMZNGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-9-3-4-12(15)7-11(9)8-13(16)14-10(2)5-6-17-14/h3-7H,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone?
2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone has a molecular weight of 232.25 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(3-methylfuran-2-yl)ethanone is sourced from PubChem (CID 105373368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).