2-ethoxy-2,2-difluoroacetic acid

C4H6F2O3 — CID 20528901

IUPAC2-ethoxy-2,2-difluoroacetic acid
SMILESCCOC(F)(F)C(=O)O
InChIInChI=1S/C4H6F2O3/c1-2-9-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChIKeyYHUFERUXLDOTHD-UHFFFAOYSA-N
MW140.08 g/mol
LogP0.70
Rot. Bonds3

About 2-ethoxy-2,2-difluoroacetic acid

2-ethoxy-2,2-difluoroacetic acid (PubChem CID 20528901) has the molecular formula C4H6F2O3 and a molecular weight of 140.08 g/mol. Its IUPAC name is 2-ethoxy-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-ethoxy-2,2-difluoroacetic acid
PubChem CID20528901
Molecular FormulaC4H6F2O3
Molecular Weight140.08 g/mol
Exact Mass140.03
IUPAC Name2-ethoxy-2,2-difluoroacetic acid
SMILESCCOC(F)(F)C(=O)O
InChIInChI=1S/C4H6F2O3/c1-2-9-4(5,6)3(7)8/h2H2,1H3,(H,7,8)
InChIKeyYHUFERUXLDOTHD-UHFFFAOYSA-N
XLogP0.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-Trifluoroethoxy)acetic acid
CID 4738453
(Nonafluorobutoxy)acetic acid
CID 20084747
(1,1,2,3,3,3-Hexafluoropropoxy)acetic acid
CID 58420740
(Heptafluoropropoxy)acetic acid
CID 71425833
[1,1,2,2-Tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 71425835
[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 71425837
Fluoro[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 71425844
Fluoro(heptafluoropropoxy)acetic acid
CID 71425845
2-[Perfluoro(propoxy)ethoxy]acetic acid
CID 162396578
Difluoromethoxyacetic acid
CID 152980
2-(Trifluoromethoxy)acetic acid
CID 39872368
2-(2,2-Difluoroethoxy)acetic acid
CID 82005911

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2,2-difluoroacetic acid?
The IUPAC name of 2-ethoxy-2,2-difluoroacetic acid (CID 20528901) is 2-ethoxy-2,2-difluoroacetic acid.
What is the SMILES notation for 2-ethoxy-2,2-difluoroacetic acid?
The canonical SMILES for 2-ethoxy-2,2-difluoroacetic acid is CCOC(F)(F)C(=O)O.
What is the InChIKey of 2-ethoxy-2,2-difluoroacetic acid?
The InChIKey is YHUFERUXLDOTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3/c1-2-9-4(5,6)3(7)8/h2H2,1H3,(H,7,8).
What are the key properties of 2-ethoxy-2,2-difluoroacetic acid?
2-ethoxy-2,2-difluoroacetic acid has a molecular weight of 140.08 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2,2-difluoroacetic acid is sourced from PubChem (CID 20528901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).