methyl 2-(2-ethenyl-6-fluorophenyl)acetate

C11H11FO2 — CID 149339136

IUPACmethyl 2-(2-ethenyl-6-fluorophenyl)acetate
SMILESC=Cc1cccc(F)c1CC(=O)OC
InChIInChI=1S/C11H11FO2/c1-3-8-5-4-6-10(12)9(8)7-11(13)14-2/h3-6H,1,7H2,2H3
InChIKeyYDVHBNFBOKHDES-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.18
Rot. Bonds3

About methyl 2-(2-ethenyl-6-fluorophenyl)acetate

methyl 2-(2-ethenyl-6-fluorophenyl)acetate (PubChem CID 149339136) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is methyl 2-(2-ethenyl-6-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-ethenyl-6-fluorophenyl)acetate
PubChem CID149339136
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Namemethyl 2-(2-ethenyl-6-fluorophenyl)acetate
SMILESC=Cc1cccc(F)c1CC(=O)OC
InChIInChI=1S/C11H11FO2/c1-3-8-5-4-6-10(12)9(8)7-11(13)14-2/h3-6H,1,7H2,2H3
InChIKeyYDVHBNFBOKHDES-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethenyl-6-fluorophenyl)propan-2-one
CID 160689152
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323
acetyl 2-(2,6-difluorophenyl)acetate
CID 22626736
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 4-(3-fluoro-2-methylphenyl)but-3-enoate
CID 170500422
methyl 2-(3-bromo-6-fluoro-2-methylphenyl)acetate
CID 131455080
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 3-(4-ethenyl-3-fluorophenyl)propanoate
CID 167531141
1-(2,6-difluorophenyl)-3-methylbut-3-en-2-one
CID 115780969
methyl 2-[3-ethenyl-4-(trifluoromethyl)phenyl]acetate
CID 58973601

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethenyl-6-fluorophenyl)acetate?
The IUPAC name of methyl 2-(2-ethenyl-6-fluorophenyl)acetate (CID 149339136) is methyl 2-(2-ethenyl-6-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-ethenyl-6-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(2-ethenyl-6-fluorophenyl)acetate is C=Cc1cccc(F)c1CC(=O)OC.
What is the InChIKey of methyl 2-(2-ethenyl-6-fluorophenyl)acetate?
The InChIKey is YDVHBNFBOKHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-3-8-5-4-6-10(12)9(8)7-11(13)14-2/h3-6H,1,7H2,2H3.
What are the key properties of methyl 2-(2-ethenyl-6-fluorophenyl)acetate?
methyl 2-(2-ethenyl-6-fluorophenyl)acetate has a molecular weight of 194.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethenyl-6-fluorophenyl)acetate is sourced from PubChem (CID 149339136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).