1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone

C13H11FO2 — CID 83171971

IUPAC1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1cc(F)ccc1C(=O)Cc1ccoc1
InChIInChI=1S/C13H11FO2/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyYAGYLUFDQGLGKC-UHFFFAOYSA-N
MW218.23 g/mol
LogP3.15
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone

1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone (PubChem CID 83171971) has the molecular formula C13H11FO2 and a molecular weight of 218.23 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
PubChem CID83171971
Molecular FormulaC13H11FO2
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone
SMILESCc1cc(F)ccc1C(=O)Cc1ccoc1
InChIInChI=1S/C13H11FO2/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3
InChIKeyYAGYLUFDQGLGKC-UHFFFAOYSA-N
XLogP3.15
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(2-chloro-4-methylphenyl)-2-(furan-3-yl)ethanone
CID 106865128
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(2,5-dimethylfuran-3-yl)-2-(furan-3-yl)ethanone
CID 115795910
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
1-(4-fluoro-2-methylphenyl)-2-[4-(2-fluoropropan-2-yloxy)phenyl]ethanone
CID 144675666
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
2-(3-bromo-4-methoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273091
2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274086
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone (CID 83171971) is 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone is Cc1cc(F)ccc1C(=O)Cc1ccoc1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone?
The InChIKey is YAGYLUFDQGLGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2/c1-9-6-11(14)2-3-12(9)13(15)7-10-4-5-16-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone?
1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone has a molecular weight of 218.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(furan-3-yl)ethanone is sourced from PubChem (CID 83171971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).