1-(2-fluoro-6-methylphenyl)propan-2-one

C10H11FO — CID 84765067

IUPAC1-(2-fluoro-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cccc1F
InChIInChI=1S/C10H11FO/c1-7-4-3-5-10(11)9(7)6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyHQQISRSFAICNAG-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.27
Rot. Bonds2

About 1-(2-fluoro-6-methylphenyl)propan-2-one

1-(2-fluoro-6-methylphenyl)propan-2-one (PubChem CID 84765067) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-fluoro-6-methylphenyl)propan-2-one
PubChem CID84765067
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name1-(2-fluoro-6-methylphenyl)propan-2-one
SMILESCC(=O)Cc1c(C)cccc1F
InChIInChI=1S/C10H11FO/c1-7-4-3-5-10(11)9(7)6-8(2)12/h3-5H,6H2,1-2H3
InChIKeyHQQISRSFAICNAG-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
1-[2-(difluoromethoxy)-6-methylphenyl]propan-2-one
CID 118835704
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
1-(2-ethenyl-6-fluorophenyl)propan-2-one
CID 160689152
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
2-amino-3-(2-fluoro-6-methylphenyl)-2-methylpropanoic acid
CID 123986153
1-(2-amino-3-fluorophenyl)propan-2-one
CID 59383493
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene
CID 166898375
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
1-(2,6-difluorophenyl)-4-methylpent-3-en-2-one
CID 115780770

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-fluoro-6-methylphenyl)propan-2-one (CID 84765067) is 1-(2-fluoro-6-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-fluoro-6-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-fluoro-6-methylphenyl)propan-2-one is CC(=O)Cc1c(C)cccc1F.
What is the InChIKey of 1-(2-fluoro-6-methylphenyl)propan-2-one?
The InChIKey is HQQISRSFAICNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-7-4-3-5-10(11)9(7)6-8(2)12/h3-5H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methylphenyl)propan-2-one?
1-(2-fluoro-6-methylphenyl)propan-2-one has a molecular weight of 166.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylphenyl)propan-2-one is sourced from PubChem (CID 84765067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).