methyl 2-(2,4,6-trifluorophenyl)acetate

C9H7F3O2 — CID 66608247

IUPACmethyl 2-(2,4,6-trifluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C9H7F3O2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4H2,1H3
InChIKeyKJIXWGGDFINGJL-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-(2,4,6-trifluorophenyl)acetate

methyl 2-(2,4,6-trifluorophenyl)acetate (PubChem CID 66608247) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is methyl 2-(2,4,6-trifluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4,6-trifluorophenyl)acetate
PubChem CID66608247
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Namemethyl 2-(2,4,6-trifluorophenyl)acetate
SMILESCOC(=O)Cc1c(F)cc(F)cc1F
InChIInChI=1S/C9H7F3O2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4H2,1H3
InChIKeyKJIXWGGDFINGJL-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(3,5-difluoro-2-nitrophenyl)acetate
CID 121228600
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
methyl 2-[2-(chloromethyl)-3,6-difluorophenyl]acetate
CID 171019323
methyl 2-(2-chloro-4-cyano-6-fluorophenyl)acetate
CID 171028383
methyl 2-[2-(bromomethyl)-5-fluoro-3-methoxyphenyl]acetate
CID 171017298
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-[6-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104358
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,6-trifluorophenyl)acetate?
The IUPAC name of methyl 2-(2,4,6-trifluorophenyl)acetate (CID 66608247) is methyl 2-(2,4,6-trifluorophenyl)acetate.
What is the SMILES notation for methyl 2-(2,4,6-trifluorophenyl)acetate?
The canonical SMILES for methyl 2-(2,4,6-trifluorophenyl)acetate is COC(=O)Cc1c(F)cc(F)cc1F.
What is the InChIKey of methyl 2-(2,4,6-trifluorophenyl)acetate?
The InChIKey is KJIXWGGDFINGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2,4,6-trifluorophenyl)acetate?
methyl 2-(2,4,6-trifluorophenyl)acetate has a molecular weight of 204.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,6-trifluorophenyl)acetate is sourced from PubChem (CID 66608247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).