methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate

C17H17F3O4 — CID 13384290

IUPACmethyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(OCc1ccc2cc(OC)ccc2c1)C(F)(F)F
InChIInChI=1S/C17H17F3O4/c1-16(15(21)23-3,17(18,19)20)24-10-11-4-5-13-9-14(22-2)7-6-12(13)8-11/h4-9H,10H2,1-3H3
InChIKeySEWPIJBPLUWMPM-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.86
Rot. Bonds5

About methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate

methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate (PubChem CID 13384290) has the molecular formula C17H17F3O4 and a molecular weight of 342.31 g/mol. Its IUPAC name is methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate
PubChem CID13384290
Molecular FormulaC17H17F3O4
Molecular Weight342.31 g/mol
Exact Mass342.11
IUPAC Namemethyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate
SMILESCOC(=O)C(C)(OCc1ccc2cc(OC)ccc2c1)C(F)(F)F
InChIInChI=1S/C17H17F3O4/c1-16(15(21)23-3,17(18,19)20)24-10-11-4-5-13-9-14(22-2)7-6-12(13)8-11/h4-9H,10H2,1-3H3
InChIKeySEWPIJBPLUWMPM-UHFFFAOYSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate?
The IUPAC name of methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate (CID 13384290) is methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate.
What is the SMILES notation for methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate?
The canonical SMILES for methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate is COC(=O)C(C)(OCc1ccc2cc(OC)ccc2c1)C(F)(F)F.
What is the InChIKey of methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate?
The InChIKey is SEWPIJBPLUWMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O4/c1-16(15(21)23-3,17(18,19)20)24-10-11-4-5-13-9-14(22-2)7-6-12(13)8-11/h4-9H,10H2,1-3H3.
What are the key properties of methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate?
methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate has a molecular weight of 342.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,3-trifluoro-2-[(6-methoxynaphthalen-2-yl)methoxy]-2-methylpropanoate is sourced from PubChem (CID 13384290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).