2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone

C13H14F2O — CID 107001810

IUPAC2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
SMILESCC1(C)CC1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H14F2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3
InChIKeyXSYKQNBJSHBERY-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.12
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone

2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone (PubChem CID 107001810) has the molecular formula C13H14F2O and a molecular weight of 224.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
PubChem CID107001810
Molecular FormulaC13H14F2O
Molecular Weight224.25 g/mol
Exact Mass224.10
IUPAC Name2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
SMILESCC1(C)CC1C(=O)Cc1c(F)cccc1F
InChIInChI=1S/C13H14F2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3
InChIKeyXSYKQNBJSHBERY-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107003830
2-(2,6-difluorophenyl)-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 118398594
(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
CID 130512079
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
2-(2-fluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622360
1-(2,6-difluorophenyl)-4-methylpent-3-en-2-one
CID 115780770
2-(2,6-difluorophenyl)-1-(thiolan-2-yl)ethanone
CID 114931412
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
2-(2,6-difluorophenyl)-1-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)ethanone
CID 171947627
1-(azepan-2-yl)-2-(2,6-difluorophenyl)ethanone
CID 114935433

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone (CID 107001810) is 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone is CC1(C)CC1C(=O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
The InChIKey is XSYKQNBJSHBERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9H,6-7H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone?
2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone has a molecular weight of 224.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone is sourced from PubChem (CID 107001810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).