[2-(trifluoromethyl)phenyl]methyl acetate

C10H9F3O2 — CID 20767653

IUPAC[2-(trifluoromethyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-7(14)15-6-8-4-2-3-5-9(8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyJTJNXZZCJNORST-UHFFFAOYSA-N
MW218.17 g/mol
LogP2.77
Rot. Bonds2

About [2-(trifluoromethyl)phenyl]methyl acetate

[2-(trifluoromethyl)phenyl]methyl acetate (PubChem CID 20767653) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methyl acetate
PubChem CID20767653
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name[2-(trifluoromethyl)phenyl]methyl acetate
SMILESCC(=O)OCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c1-7(14)15-6-8-4-2-3-5-9(8)10(11,12)13/h2-5H,6H2,1H3
InChIKeyJTJNXZZCJNORST-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methyl acetate?
The IUPAC name of [2-(trifluoromethyl)phenyl]methyl acetate (CID 20767653) is [2-(trifluoromethyl)phenyl]methyl acetate.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methyl acetate?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methyl acetate is CC(=O)OCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methyl acetate?
The InChIKey is JTJNXZZCJNORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O2/c1-7(14)15-6-8-4-2-3-5-9(8)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of [2-(trifluoromethyl)phenyl]methyl acetate?
[2-(trifluoromethyl)phenyl]methyl acetate has a molecular weight of 218.17 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methyl acetate is sourced from PubChem (CID 20767653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).