[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate

C13H16F3NO5 — CID 56806663

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CC(C)(O)C(F)(F)F
InChIInChI=1S/C13H16F3NO5/c1-12(20,13(14,15)16)6-11(19)22-8-10(18)17(2)7-9-4-3-5-21-9/h3-5,20H,6-8H2,1-2H3
InChIKeyIWMFEYLVYJNBNC-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.48
Rot. Bonds6

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate (PubChem CID 56806663) has the molecular formula C13H16F3NO5 and a molecular weight of 323.27 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
PubChem CID56806663
Molecular FormulaC13H16F3NO5
Molecular Weight323.27 g/mol
Exact Mass323.10
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CC(C)(O)C(F)(F)F
InChIInChI=1S/C13H16F3NO5/c1-12(20,13(14,15)16)6-11(19)22-8-10(18)17(2)7-9-4-3-5-21-9/h3-5,20H,6-8H2,1-2H3
InChIKeyIWMFEYLVYJNBNC-UHFFFAOYSA-N
XLogP1.48
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate with MolForge

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55998165
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819613
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363385
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 46516862
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-bromo-5-fluorobenzoate
CID 55404838
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 46544743
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 42983952

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate (CID 56806663) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate is CN(Cc1ccco1)C(=O)COC(=O)CC(C)(O)C(F)(F)F.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate?
The InChIKey is IWMFEYLVYJNBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO5/c1-12(20,13(14,15)16)6-11(19)22-8-10(18)17(2)7-9-4-3-5-21-9/h3-5,20H,6-8H2,1-2H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate has a molecular weight of 323.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate is sourced from PubChem (CID 56806663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).