methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate

C11H16F3NO3 — CID 123198444

IUPACmethyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate
SMILESCOC(=O)C(NCC=C(C)C(F)(F)F)C1COC1
InChIInChI=1S/C11H16F3NO3/c1-7(11(12,13)14)3-4-15-9(10(16)17-2)8-5-18-6-8/h3,8-9,15H,4-6H2,1-2H3
InChIKeyCFXUULQSUPEIPK-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.27
Rot. Bonds5

About methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate

methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate (PubChem CID 123198444) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate
PubChem CID123198444
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate
SMILESCOC(=O)C(NCC=C(C)C(F)(F)F)C1COC1
InChIInChI=1S/C11H16F3NO3/c1-7(11(12,13)14)3-4-15-9(10(16)17-2)8-5-18-6-8/h3,8-9,15H,4-6H2,1-2H3
InChIKeyCFXUULQSUPEIPK-UHFFFAOYSA-N
XLogP1.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate?
The IUPAC name of methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate (CID 123198444) is methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate.
What is the SMILES notation for methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate?
The canonical SMILES for methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate is COC(=O)C(NCC=C(C)C(F)(F)F)C1COC1.
What is the InChIKey of methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate?
The InChIKey is CFXUULQSUPEIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-7(11(12,13)14)3-4-15-9(10(16)17-2)8-5-18-6-8/h3,8-9,15H,4-6H2,1-2H3.
What are the key properties of methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate?
methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate has a molecular weight of 267.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxetan-3-yl)-2-[(4,4,4-trifluoro-3-methylbut-2-enyl)amino]acetate is sourced from PubChem (CID 123198444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).