fluoro 2-deuterio-2,2-difluoroacetate

C2HF3O2 — CID 20826380

IUPACfluoro 2-deuterio-2,2-difluoroacetate
SMILES[2H]C(F)(F)C(=O)OF
InChIInChI=1S/C2HF3O2/c3-1(4)2(6)7-5/h1H/i1D
InChIKeyGETPKFJALYLGLT-MICDWDOJSA-N
MW115.03 g/mol
LogP0.68
Rot. Bonds1

About fluoro 2-deuterio-2,2-difluoroacetate

fluoro 2-deuterio-2,2-difluoroacetate (PubChem CID 20826380) has the molecular formula C2HF3O2 and a molecular weight of 115.03 g/mol. Its IUPAC name is fluoro 2-deuterio-2,2-difluoroacetate.

Molecular Properties

Compound Namefluoro 2-deuterio-2,2-difluoroacetate
PubChem CID20826380
Molecular FormulaC2HF3O2
Molecular Weight115.03 g/mol
Exact Mass115.00
IUPAC Namefluoro 2-deuterio-2,2-difluoroacetate
SMILES[2H]C(F)(F)C(=O)OF
InChIInChI=1S/C2HF3O2/c3-1(4)2(6)7-5/h1H/i1D
InChIKeyGETPKFJALYLGLT-MICDWDOJSA-N
XLogP0.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.03
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-deuterio-2,2-difluoroacetate?
The IUPAC name of fluoro 2-deuterio-2,2-difluoroacetate (CID 20826380) is fluoro 2-deuterio-2,2-difluoroacetate.
What is the SMILES notation for fluoro 2-deuterio-2,2-difluoroacetate?
The canonical SMILES for fluoro 2-deuterio-2,2-difluoroacetate is [2H]C(F)(F)C(=O)OF.
What is the InChIKey of fluoro 2-deuterio-2,2-difluoroacetate?
The InChIKey is GETPKFJALYLGLT-MICDWDOJSA-N. The full InChI is InChI=1S/C2HF3O2/c3-1(4)2(6)7-5/h1H/i1D.
What are the key properties of fluoro 2-deuterio-2,2-difluoroacetate?
fluoro 2-deuterio-2,2-difluoroacetate has a molecular weight of 115.03 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-deuterio-2,2-difluoroacetate is sourced from PubChem (CID 20826380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).