2-(2,2-difluoroethoxy)acetic acid

C4H6F2O3 — CID 82005911

IUPAC2-(2,2-difluoroethoxy)acetic acid
SMILESO=C(O)COCC(F)F
InChIInChI=1S/C4H6F2O3/c5-3(6)1-9-2-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyGQTMDIOFKUTFDR-UHFFFAOYSA-N
MW140.08 g/mol
LogP0.35
Rot. Bonds4

About 2-(2,2-difluoroethoxy)acetic acid

2-(2,2-difluoroethoxy)acetic acid (PubChem CID 82005911) has the molecular formula C4H6F2O3 and a molecular weight of 140.08 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)acetic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)acetic acid
PubChem CID82005911
Molecular FormulaC4H6F2O3
Molecular Weight140.08 g/mol
Exact Mass140.03
IUPAC Name2-(2,2-difluoroethoxy)acetic acid
SMILESO=C(O)COCC(F)F
InChIInChI=1S/C4H6F2O3/c5-3(6)1-9-2-4(7)8/h3H,1-2H2,(H,7,8)
InChIKeyGQTMDIOFKUTFDR-UHFFFAOYSA-N
XLogP0.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.08
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)acetic acid?
The IUPAC name of 2-(2,2-difluoroethoxy)acetic acid (CID 82005911) is 2-(2,2-difluoroethoxy)acetic acid.
What is the SMILES notation for 2-(2,2-difluoroethoxy)acetic acid?
The canonical SMILES for 2-(2,2-difluoroethoxy)acetic acid is O=C(O)COCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)acetic acid?
The InChIKey is GQTMDIOFKUTFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O3/c5-3(6)1-9-2-4(7)8/h3H,1-2H2,(H,7,8).
What are the key properties of 2-(2,2-difluoroethoxy)acetic acid?
2-(2,2-difluoroethoxy)acetic acid has a molecular weight of 140.08 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)acetic acid is sourced from PubChem (CID 82005911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).