methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate

C11H11F3O4 — CID 18701942

IUPACmethyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate
SMILESCOC(=O)C(OC(F)C(F)F)c1ccc(O)cc1
InChIInChI=1S/C11H11F3O4/c1-17-11(16)8(18-10(14)9(12)13)6-2-4-7(15)5-3-6/h2-5,8-10,15H,1H3
InChIKeyUMQQFHBWFASOGB-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.18
Rot. Bonds5

About methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate

methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate (PubChem CID 18701942) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate
PubChem CID18701942
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate
SMILESCOC(=O)C(OC(F)C(F)F)c1ccc(O)cc1
InChIInChI=1S/C11H11F3O4/c1-17-11(16)8(18-10(14)9(12)13)6-2-4-7(15)5-3-6/h2-5,8-10,15H,1H3
InChIKeyUMQQFHBWFASOGB-UHFFFAOYSA-N
XLogP2.18
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate (CID 18701942) is methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate is COC(=O)C(OC(F)C(F)F)c1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate?
The InChIKey is UMQQFHBWFASOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-17-11(16)8(18-10(14)9(12)13)6-2-4-7(15)5-3-6/h2-5,8-10,15H,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate?
methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate has a molecular weight of 264.20 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)-2-(1,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 18701942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).