methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate

C7H10F4O4 — CID 21189111

IUPACmethyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
SMILESCOC(=O)C(F)(OC(C)OC)C(F)(F)F
InChIInChI=1S/C7H10F4O4/c1-4(13-2)15-6(8,5(12)14-3)7(9,10)11/h4H,1-3H3
InChIKeyQYCOLPRKYXLIEX-UHFFFAOYSA-N
MW234.14 g/mol
LogP1.40
Rot. Bonds4

About methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate

methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate (PubChem CID 21189111) has the molecular formula C7H10F4O4 and a molecular weight of 234.14 g/mol. Its IUPAC name is methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
PubChem CID21189111
Molecular FormulaC7H10F4O4
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Namemethyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
SMILESCOC(=O)C(F)(OC(C)OC)C(F)(F)F
InChIInChI=1S/C7H10F4O4/c1-4(13-2)15-6(8,5(12)14-3)7(9,10)11/h4H,1-3H3
InChIKeyQYCOLPRKYXLIEX-UHFFFAOYSA-N
XLogP1.40
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-Dimethyl-1,3-dioxolan-2-yl)methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 21133314
(2,2-Dimethoxyacetyl) 2,2,2-trifluoroacetate
CID 11964333
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
ethyl (2R)-2-ethoxy-2,3,3,3-tetrafluoropropanoate
CID 7036411
Ethyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
CID 2779789
Methyl 4-methyl-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 11492212
Methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
CID 14401464
2-(2-Ethoxyethoxy)ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 17747958
Methyl 2-(1-butoxyethoxy)-2,2-difluoroacetate
CID 18995450
Methyl 2-(1-butoxybutoxy)-2,3,3,4,4,4-hexafluorobutanoate
CID 19001124
Methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
CID 19001141
Methyl 2-ethoxy-2,3,3,3-tetrafluoropropanoate
CID 20361424

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate?
The IUPAC name of methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate (CID 21189111) is methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate.
What is the SMILES notation for methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate?
The canonical SMILES for methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate is COC(=O)C(F)(OC(C)OC)C(F)(F)F.
What is the InChIKey of methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate?
The InChIKey is QYCOLPRKYXLIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O4/c1-4(13-2)15-6(8,5(12)14-3)7(9,10)11/h4H,1-3H3.
What are the key properties of methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate?
methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate has a molecular weight of 234.14 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate is sourced from PubChem (CID 21189111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).