methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate

C9H14F3NO5 — CID 88878512

IUPACmethyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO5/c1-16-7(14)6-18-5-4-17-3-2-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyJOJCVCLGSXZZLZ-UHFFFAOYSA-N
MW273.21 g/mol
LogP-0.13
Rot. Bonds8

About methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate

methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate (PubChem CID 88878512) has the molecular formula C9H14F3NO5 and a molecular weight of 273.21 g/mol. Its IUPAC name is methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate
PubChem CID88878512
Molecular FormulaC9H14F3NO5
Molecular Weight273.21 g/mol
Exact Mass273.08
IUPAC Namemethyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate
SMILESCOC(=O)COCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO5/c1-16-7(14)6-18-5-4-17-3-2-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15)
InChIKeyJOJCVCLGSXZZLZ-UHFFFAOYSA-N
XLogP-0.13
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Acetamidoethoxy)acetic acid
CID 57148941
1,4,10-Trioxa-7,13-diazacyclopentadecane-2,6,14-trione
CID 568389
methyl 2-methyl-2-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]propanoate
CID 54502657
N-[2-(2-acetamidoethoxy)ethyl]-2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetamide
CID 57615903
2-[2-[2-[2-(2-acetamidoethoxy)ethylamino]-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N-[2-(2-aminoethoxy)ethyl]-2,2-difluoroacetamide
CID 57615904
N-[2-(2-aminoethoxy)ethyl]-2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetamide
CID 57615905
N-[2-(2-aminoethoxy)ethyl]-2-[2-[2-[2-(2-aminoethoxy)ethylamino]-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetamide
CID 57615913
2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]acetamide
CID 57615914
Acetic acid, 2-oxo-2-[(2,2,2-trifluoroethyl)amino]-, ethyl ester
CID 59313622
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2-difluoro-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856967
2,2-difluoro-N-[2-(2-methoxyethoxy)ethyl]-2-(1,1,2,2-tetrafluoropropoxy)acetamide
CID 88856968
2-[2-[2-(diethylamino)-1,1-difluoro-2-oxoethoxy]-1,1,2,2-tetrafluoroethoxy]-N,N-diethyl-2,2-difluoroacetamide;N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
CID 91057319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate (CID 88878512) is methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate is COC(=O)COCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate?
The InChIKey is JOJCVCLGSXZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO5/c1-16-7(14)6-18-5-4-17-3-2-13-8(15)9(10,11)12/h2-6H2,1H3,(H,13,15).
What are the key properties of methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate?
methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate has a molecular weight of 273.21 g/mol, XLogP of -0.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate is sourced from PubChem (CID 88878512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).