methyl 2-[4-(trifluoromethyl)phenyl]acetate

C10H9F3O2 — CID 12717573

IUPACmethyl 2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-9(14)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyONNMKZXKTBYWFA-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.42
Rot. Bonds2

About methyl 2-[4-(trifluoromethyl)phenyl]acetate

methyl 2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 12717573) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is methyl 2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID12717573
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Namemethyl 2-[4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O2/c1-15-9(14)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3
InChIKeyONNMKZXKTBYWFA-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(trifluoromethyl)phenyl]acetate (CID 12717573) is methyl 2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of methyl 2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is ONNMKZXKTBYWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-15-9(14)6-7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[4-(trifluoromethyl)phenyl]acetate?
methyl 2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 218.17 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 12717573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).