methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate

C16H14F3NO4 — CID 23091390

IUPACmethyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C(F)(F)F)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H14F3NO4/c1-23-13-6-4-10-7-12(5-3-11(10)8-13)20(9-14(21)24-2)15(22)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyUCWUOAMRGKSEEK-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.92
Rot. Bonds4

About methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate

methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 23091390) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID23091390
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)CN(C(=O)C(F)(F)F)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H14F3NO4/c1-23-13-6-4-10-7-12(5-3-11(10)8-13)20(9-14(21)24-2)15(22)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyUCWUOAMRGKSEEK-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(N-amino-4-methoxyanilino)acetate
CID 54130144
N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoro-N-(4-methoxyphenyl)acetamide
CID 1048581
2,2-difluoro-3-hydroxy-N,N,3-tris(6-methoxynaphthalen-2-yl)propanamide
CID 102373406
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
2-[N-(2,2-dimethylpropanoyl)-4-methoxyanilino]acetic acid
CID 28765944
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
CID 110169903
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
2,2,2-trifluoro-N-[(6-methoxynaphthalen-2-yl)methoxy]acetamide
CID 19967321
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
N-(6-methoxynaphthalen-2-yl)-N-oxidohydroxylamine
CID 163172105

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate (CID 23091390) is methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)CN(C(=O)C(F)(F)F)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is UCWUOAMRGKSEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-23-13-6-4-10-7-12(5-3-11(10)8-13)20(9-14(21)24-2)15(22)16(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 341.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxynaphthalen-2-yl)-(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 23091390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).