methyl 2-(2,2,2-trifluoroethoxy)acetate

C5H7F3O3 — CID 19381016

IUPACmethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESCOC(=O)COCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-10-4(9)2-11-3-5(6,7)8/h2-3H2,1H3
InChIKeyOJCLWGJVTBMCFT-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.74
Rot. Bonds3

About methyl 2-(2,2,2-trifluoroethoxy)acetate

methyl 2-(2,2,2-trifluoroethoxy)acetate (PubChem CID 19381016) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is methyl 2-(2,2,2-trifluoroethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,2,2-trifluoroethoxy)acetate
PubChem CID19381016
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Namemethyl 2-(2,2,2-trifluoroethoxy)acetate
SMILESCOC(=O)COCC(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-10-4(9)2-11-3-5(6,7)8/h2-3H2,1H3
InChIKeyOJCLWGJVTBMCFT-UHFFFAOYSA-N
XLogP0.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4,4,4-trifluoro-2,2-bis(2,2,2-trifluoroethyl)butoxy]acetate
CID 58275059
methyl 2-(2,2,3,3,3-pentafluoropropoxy)acetate
CID 154691532
(2S)-4-methoxy-4-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid
CID 103205985
methyl 3-(2,2,2-trifluoroethoxyamino)propanoate
CID 82722499
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
methyl 2-[2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 71676237
methyl 2-[2-[2-(2-methoxy-2-oxoethoxy)ethoxy]ethoxy]acetate
CID 4170388
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
methyl 2-(methoxymethoxy)acetate
CID 11018922
methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
CID 86179501
1-bromo-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103213609
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
CID 103940728

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2,2-trifluoroethoxy)acetate?
The IUPAC name of methyl 2-(2,2,2-trifluoroethoxy)acetate (CID 19381016) is methyl 2-(2,2,2-trifluoroethoxy)acetate.
What is the SMILES notation for methyl 2-(2,2,2-trifluoroethoxy)acetate?
The canonical SMILES for methyl 2-(2,2,2-trifluoroethoxy)acetate is COC(=O)COCC(F)(F)F.
What is the InChIKey of methyl 2-(2,2,2-trifluoroethoxy)acetate?
The InChIKey is OJCLWGJVTBMCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-10-4(9)2-11-3-5(6,7)8/h2-3H2,1H3.
What are the key properties of methyl 2-(2,2,2-trifluoroethoxy)acetate?
methyl 2-(2,2,2-trifluoroethoxy)acetate has a molecular weight of 172.10 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2,2-trifluoroethoxy)acetate is sourced from PubChem (CID 19381016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).