1-(2-ethyl-6-fluorophenyl)propan-1-one

C11H13FO — CID 118835757

IUPAC1-(2-ethyl-6-fluorophenyl)propan-1-one
SMILESCCC(=O)c1c(F)cccc1CC
InChIInChI=1S/C11H13FO/c1-3-8-6-5-7-9(12)11(8)10(13)4-2/h5-7H,3-4H2,1-2H3
InChIKeyXHYXLFVCNVMKSZ-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-ethyl-6-fluorophenyl)propan-1-one

1-(2-ethyl-6-fluorophenyl)propan-1-one (PubChem CID 118835757) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(2-ethyl-6-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-6-fluorophenyl)propan-1-one
PubChem CID118835757
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(2-ethyl-6-fluorophenyl)propan-1-one
SMILESCCC(=O)c1c(F)cccc1CC
InChIInChI=1S/C11H13FO/c1-3-8-6-5-7-9(12)11(8)10(13)4-2/h5-7H,3-4H2,1-2H3
InChIKeyXHYXLFVCNVMKSZ-UHFFFAOYSA-N
XLogP2.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
CID 107431840
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(2,6-diethylphenyl)ethanone
CID 14939611
1-(6-fluoro-2,3-dimethylphenyl)propan-1-one
CID 123216967
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1-ethyl-3-fluoro-2-methylbenzene
CID 18711825
1-(2,6-difluorophenyl)butane-1,3-dione
CID 43089596
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-fluorophenyl)propan-1-one?
The IUPAC name of 1-(2-ethyl-6-fluorophenyl)propan-1-one (CID 118835757) is 1-(2-ethyl-6-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(2-ethyl-6-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(2-ethyl-6-fluorophenyl)propan-1-one is CCC(=O)c1c(F)cccc1CC.
What is the InChIKey of 1-(2-ethyl-6-fluorophenyl)propan-1-one?
The InChIKey is XHYXLFVCNVMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-8-6-5-7-9(12)11(8)10(13)4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-6-fluorophenyl)propan-1-one?
1-(2-ethyl-6-fluorophenyl)propan-1-one has a molecular weight of 180.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-fluorophenyl)propan-1-one is sourced from PubChem (CID 118835757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).