methyl 2-(4-acetyl-3-fluorophenyl)acetate

C11H11FO3 — CID 121231971

IUPACmethyl 2-(4-acetyl-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-7(13)9-4-3-8(5-10(9)12)6-11(14)15-2/h3-5H,6H2,1-2H3
InChIKeyNBDZLYAPQNAPCJ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-(4-acetyl-3-fluorophenyl)acetate

methyl 2-(4-acetyl-3-fluorophenyl)acetate (PubChem CID 121231971) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is methyl 2-(4-acetyl-3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetyl-3-fluorophenyl)acetate
PubChem CID121231971
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Namemethyl 2-(4-acetyl-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(C(C)=O)c(F)c1
InChIInChI=1S/C11H11FO3/c1-7(13)9-4-3-8(5-10(9)12)6-11(14)15-2/h3-5H,6H2,1-2H3
InChIKeyNBDZLYAPQNAPCJ-UHFFFAOYSA-N
XLogP1.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(2-methoxy-2-oxoethyl)benzoic acid
CID 163291974
[2-fluoro-4-(2-methoxy-2-oxoethyl)phenyl]-trimethylazanium
CID 67592648
[2-fluoro-5-(2-methoxy-2-oxoethyl)phenyl]boronic acid
CID 130058671
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 5-(3,4-difluorophenyl)-4-oxopentanoate
CID 63899481
methyl 2-fluoro-4-[[(2-methoxy-2-oxoethyl)amino]methyl]benzoate
CID 106699486
methyl 2-[3-bromo-4-(3-bromopropanoyl)phenyl]acetate
CID 134634909
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
methyl 5-(2-methoxy-2-oxoethyl)-2-methylsulfanylbenzoate
CID 91881360
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
methyl 2-[7-(2-methoxy-2-oxoethyl)thianthren-2-yl]acetate
CID 19906740
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetyl-3-fluorophenyl)acetate?
The IUPAC name of methyl 2-(4-acetyl-3-fluorophenyl)acetate (CID 121231971) is methyl 2-(4-acetyl-3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(4-acetyl-3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(4-acetyl-3-fluorophenyl)acetate is COC(=O)Cc1ccc(C(C)=O)c(F)c1.
What is the InChIKey of methyl 2-(4-acetyl-3-fluorophenyl)acetate?
The InChIKey is NBDZLYAPQNAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-7(13)9-4-3-8(5-10(9)12)6-11(14)15-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(4-acetyl-3-fluorophenyl)acetate?
methyl 2-(4-acetyl-3-fluorophenyl)acetate has a molecular weight of 210.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetyl-3-fluorophenyl)acetate is sourced from PubChem (CID 121231971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).