methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate

C18H17F3O3 — CID 13384274

IUPACmethyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate
SMILESCOC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H17F3O3/c1-17(16(22)23-2,18(19,20)21)24-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyXMNZUCJYGQXLTO-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.36
Rot. Bonds5

About methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate

methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate (PubChem CID 13384274) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate
PubChem CID13384274
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Namemethyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate
SMILESCOC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C18H17F3O3/c1-17(16(22)23-2,18(19,20)21)24-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyXMNZUCJYGQXLTO-UHFFFAOYSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate (CID 13384274) is methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate is COC(=O)C(C)(OCc1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate?
The InChIKey is XMNZUCJYGQXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-17(16(22)23-2,18(19,20)21)24-12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate?
methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate has a molecular weight of 338.33 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-methyl-2-[(4-phenylphenyl)methoxy]propanoate is sourced from PubChem (CID 13384274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).