(2-methoxyphenyl) 2,2,2-trifluoroacetate

C9H7F3O3 — CID 613204

IUPAC(2-methoxyphenyl) 2,2,2-trifluoroacetate
SMILESCOc1ccccc1OC(=O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-14-6-4-2-3-5-7(6)15-8(13)9(10,11)12/h2-5H,1H3
InChIKeyYPEDNYWMPXZQLS-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.16
Rot. Bonds2

About (2-methoxyphenyl) 2,2,2-trifluoroacetate

(2-methoxyphenyl) 2,2,2-trifluoroacetate (PubChem CID 613204) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is (2-methoxyphenyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2,2,2-trifluoroacetate
PubChem CID613204
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name(2-methoxyphenyl) 2,2,2-trifluoroacetate
SMILESCOc1ccccc1OC(=O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c1-14-6-4-2-3-5-7(6)15-8(13)9(10,11)12/h2-5H,1H3
InChIKeyYPEDNYWMPXZQLS-UHFFFAOYSA-N
XLogP2.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-carbamoyl-2-(2-methoxyphenyl)phenyl] 2,2,2-trifluoroacetate
CID 143233935
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
[4-(2,2,2-trifluoroacetyl)oxynaphthalen-1-yl] 2,2,2-trifluoroacetate
CID 5201164
2-(2-methoxyphenoxy)-2-oxoacetic acid
CID 14886364
[(2-methoxybenzoyl)amino] 2,2,2-trifluoroacetate
CID 141193046
[3-(2,2,2-trifluoroacetyl)oxy-2-[1-(2,2,2-trifluoroacetyl)oxyethenyl]phenyl] 2,2,2-trifluoroacetate
CID 91694735
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
[2-(2-bromo-2-methylpropanoyl)oxyphenyl] 2-bromo-2-methylpropanoate
CID 101006572
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
1,1-difluoro-1-(2-methoxyphenoxy)-N-methylmethanamine
CID 57164596
[2,5-dimethyl-4-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 2752900
(4-fluoro-2-methoxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91717601

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methoxyphenyl) 2,2,2-trifluoroacetate (CID 613204) is (2-methoxyphenyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methoxyphenyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methoxyphenyl) 2,2,2-trifluoroacetate is COc1ccccc1OC(=O)C(F)(F)F.
What is the InChIKey of (2-methoxyphenyl) 2,2,2-trifluoroacetate?
The InChIKey is YPEDNYWMPXZQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-14-6-4-2-3-5-7(6)15-8(13)9(10,11)12/h2-5H,1H3.
What are the key properties of (2-methoxyphenyl) 2,2,2-trifluoroacetate?
(2-methoxyphenyl) 2,2,2-trifluoroacetate has a molecular weight of 220.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 613204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).