acetyl 2-(2,6-difluorophenyl)acetate

C10H8F2O3 — CID 22626736

IUPACacetyl 2-(2,6-difluorophenyl)acetate
SMILESCC(=O)OC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C10H8F2O3/c1-6(13)15-10(14)5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3
InChIKeyNCSVDWZSKIGZLW-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.60
Rot. Bonds2

About acetyl 2-(2,6-difluorophenyl)acetate

acetyl 2-(2,6-difluorophenyl)acetate (PubChem CID 22626736) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is acetyl 2-(2,6-difluorophenyl)acetate.

Molecular Properties

Compound Nameacetyl 2-(2,6-difluorophenyl)acetate
PubChem CID22626736
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Nameacetyl 2-(2,6-difluorophenyl)acetate
SMILESCC(=O)OC(=O)Cc1c(F)cccc1F
InChIInChI=1S/C10H8F2O3/c1-6(13)15-10(14)5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3
InChIKeyNCSVDWZSKIGZLW-UHFFFAOYSA-N
XLogP1.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
1-(2,6-difluorophenyl)-4-methylpent-3-en-2-one
CID 115780770
1-[2-(bromomethyl)-6-fluorophenyl]propan-2-one
CID 130968306
acetyl 2,3-difluorobenzoate
CID 150014142
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
1-(2,6-difluorophenyl)-3-ethoxypropan-2-one
CID 114931357
ethyl 3-(2,6-difluorophenyl)-2-oxopropanoate
CID 18370505
1-(2,6-difluorophenyl)-5-methylhex-5-en-2-one
CID 115802901
methyl 2-(2-ethenyl-6-fluorophenyl)acetate
CID 149339136
2-(2-acetyl-6-fluorophenyl)acetic acid
CID 121231894
2-(2,6-difluorophenyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618657
N-[(2,6-difluorophenyl)methyl]-N-methylacetamide
CID 166206862

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(2,6-difluorophenyl)acetate?
The IUPAC name of acetyl 2-(2,6-difluorophenyl)acetate (CID 22626736) is acetyl 2-(2,6-difluorophenyl)acetate.
What is the SMILES notation for acetyl 2-(2,6-difluorophenyl)acetate?
The canonical SMILES for acetyl 2-(2,6-difluorophenyl)acetate is CC(=O)OC(=O)Cc1c(F)cccc1F.
What is the InChIKey of acetyl 2-(2,6-difluorophenyl)acetate?
The InChIKey is NCSVDWZSKIGZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-6(13)15-10(14)5-7-8(11)3-2-4-9(7)12/h2-4H,5H2,1H3.
What are the key properties of acetyl 2-(2,6-difluorophenyl)acetate?
acetyl 2-(2,6-difluorophenyl)acetate has a molecular weight of 214.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(2,6-difluorophenyl)acetate is sourced from PubChem (CID 22626736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).