ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate

C7H9F5O4 — CID 59467367

IUPACethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCOCC(F)(F)F
InChIInChI=1S/C7H9F5O4/c1-2-15-5(13)7(11,12)16-4-14-3-6(8,9)10/h2-4H2,1H3
InChIKeyOAPKTYMLHRZSOE-UHFFFAOYSA-N
MW252.13 g/mol
LogP1.70
Rot. Bonds6

About ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate

ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate (PubChem CID 59467367) has the molecular formula C7H9F5O4 and a molecular weight of 252.13 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate
PubChem CID59467367
Molecular FormulaC7H9F5O4
Molecular Weight252.13 g/mol
Exact Mass252.04
IUPAC Nameethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCOCC(F)(F)F
InChIInChI=1S/C7H9F5O4/c1-2-15-5(13)7(11,12)16-4-14-3-6(8,9)10/h2-4H2,1H3
InChIKeyOAPKTYMLHRZSOE-UHFFFAOYSA-N
XLogP1.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.13
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,2-Dimethoxyacetyl) 2,2,2-trifluoroacetate
CID 11964333
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
Ethyl 2-(methoxymethoxy)acetate
CID 23243227
Methyl 2-(1-butoxyethoxy)-2,2-difluoroacetate
CID 18995450
Methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
CID 19001141
2,2-Dimethoxypropyl 3,3,3-trifluoro-2,2-bis(trifluoromethoxy)propanoate
CID 20733514
Methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
CID 21189111
Methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate
CID 22079484
[Ethoxy(fluoro)methyl] 2-ethoxyacetate
CID 57150553
Methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
CID 58692130
[2-Oxo-2-[2-[2-[2-[(2,2,2-trifluoroacetyl)oxymethoxymethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2,2-trifluoroacetate
CID 59116378
Ethyl 2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetate
CID 87392703

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate (CID 59467367) is ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate is CCOC(=O)C(F)(F)OCOCC(F)(F)F.
What is the InChIKey of ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate?
The InChIKey is OAPKTYMLHRZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F5O4/c1-2-15-5(13)7(11,12)16-4-14-3-6(8,9)10/h2-4H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate?
ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate has a molecular weight of 252.13 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(2,2,2-trifluoroethoxymethoxy)acetate is sourced from PubChem (CID 59467367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).