ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate

C16H15F3O4 — CID 166521299

IUPACethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(OC)cc2cc1C(F)(F)F
InChIInChI=1S/C16H15F3O4/c1-4-23-15(20)11-5-9-7-13(21-2)14(22-3)8-10(9)6-12(11)16(17,18)19/h5-8H,4H2,1-3H3
InChIKeyHSEUXTCHZXXFNX-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.05
Rot. Bonds4

About ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate

ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate (PubChem CID 166521299) has the molecular formula C16H15F3O4 and a molecular weight of 328.29 g/mol. Its IUPAC name is ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate
PubChem CID166521299
Molecular FormulaC16H15F3O4
Molecular Weight328.29 g/mol
Exact Mass328.09
IUPAC Nameethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2cc(OC)c(OC)cc2cc1C(F)(F)F
InChIInChI=1S/C16H15F3O4/c1-4-23-15(20)11-5-9-7-13(21-2)14(22-3)8-10(9)6-12(11)16(17,18)19/h5-8H,4H2,1-3H3
InChIKeyHSEUXTCHZXXFNX-UHFFFAOYSA-N
XLogP4.05
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-5-methoxy-2-(trifluoromethyl)benzoate
CID 134640970
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
ethyl 4-hydroxy-5-iodo-2-(trifluoromethyl)benzoate
CID 11068370
ethyl 5-formyl-2,4-bis(trifluoromethyl)benzoate
CID 134638706
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 5-iodo-2-(trifluoromethyl)benzoate
CID 129319225
diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 152610053
ethyl 2-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134668367
methyl 4-amino-5-methoxy-2-(trifluoromethyl)benzoate
CID 67254453
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
ethyl 3-methoxy-2,4-bis(trifluoromethyl)benzoate
CID 134640689

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate?
The IUPAC name of ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate (CID 166521299) is ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate?
The canonical SMILES for ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate is CCOC(=O)c1cc2cc(OC)c(OC)cc2cc1C(F)(F)F.
What is the InChIKey of ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate?
The InChIKey is HSEUXTCHZXXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O4/c1-4-23-15(20)11-5-9-7-13(21-2)14(22-3)8-10(9)6-12(11)16(17,18)19/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate?
ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethoxy-3-(trifluoromethyl)naphthalene-2-carboxylate is sourced from PubChem (CID 166521299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).