1-(6-fluoro-2,3-dimethylphenyl)propan-1-one

C11H13FO — CID 123216967

IUPAC1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
SMILESCCC(=O)c1c(F)ccc(C)c1C
InChIInChI=1S/C11H13FO/c1-4-10(13)11-8(3)7(2)5-6-9(11)12/h5-6H,4H2,1-3H3
InChIKeySUAHWBBYZHRBGA-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.04
Rot. Bonds2

About 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one

1-(6-fluoro-2,3-dimethylphenyl)propan-1-one (PubChem CID 123216967) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
PubChem CID123216967
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
SMILESCCC(=O)c1c(F)ccc(C)c1C
InChIInChI=1S/C11H13FO/c1-4-10(13)11-8(3)7(2)5-6-9(11)12/h5-6H,4H2,1-3H3
InChIKeySUAHWBBYZHRBGA-UHFFFAOYSA-N
XLogP3.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-6-methoxy-2-methylphenyl)propan-1-one
CID 91305011
1-(2,3,4-trimethylphenyl)propan-1-one
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1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
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CID 23621081
1-(2,6-difluoro-3-methylphenyl)-2-(propylamino)ethanone
CID 116562947
1-(2,6-difluoro-3-methylphenyl)-2-ethylbutan-1-one
CID 115785536
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
1-(3-fluoro-2,6-dimethoxyphenyl)propan-1-one
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1-[2-methyl-3,4-di(propanoyl)phenyl]propan-1-one
CID 54496019

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one (CID 123216967) is 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one is CCC(=O)c1c(F)ccc(C)c1C.
What is the InChIKey of 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one?
The InChIKey is SUAHWBBYZHRBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-4-10(13)11-8(3)7(2)5-6-9(11)12/h5-6H,4H2,1-3H3.
What are the key properties of 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one?
1-(6-fluoro-2,3-dimethylphenyl)propan-1-one has a molecular weight of 180.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dimethylphenyl)propan-1-one is sourced from PubChem (CID 123216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).