carbonic acid;fluoro acetate

C3H5FO5 — CID 174579483

IUPACcarbonic acid;fluoro acetate
SMILESCC(=O)OF.O=C(O)O
InChIInChI=1S/C2H3FO2.CH2O3/c1-2(4)5-3;2-1(3)4/h1H3;(H2,2,3,4)
InChIKeyRSZAETPHUNFJHQ-UHFFFAOYSA-N
MW140.07 g/mol
LogP0.66
Rot. Bonds

About carbonic acid;fluoro acetate

carbonic acid;fluoro acetate (PubChem CID 174579483) has the molecular formula C3H5FO5 and a molecular weight of 140.07 g/mol. Its IUPAC name is carbonic acid;fluoro acetate.

Molecular Properties

Compound Namecarbonic acid;fluoro acetate
PubChem CID174579483
Molecular FormulaC3H5FO5
Molecular Weight140.07 g/mol
Exact Mass140.01
IUPAC Namecarbonic acid;fluoro acetate
SMILESCC(=O)OF.O=C(O)O
InChIInChI=1S/C2H3FO2.CH2O3/c1-2(4)5-3;2-1(3)4/h1H3;(H2,2,3,4)
InChIKeyRSZAETPHUNFJHQ-UHFFFAOYSA-N
XLogP0.66
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.07
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;fluoro acetate?
The IUPAC name of carbonic acid;fluoro acetate (CID 174579483) is carbonic acid;fluoro acetate.
What is the SMILES notation for carbonic acid;fluoro acetate?
The canonical SMILES for carbonic acid;fluoro acetate is CC(=O)OF.O=C(O)O.
What is the InChIKey of carbonic acid;fluoro acetate?
The InChIKey is RSZAETPHUNFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3FO2.CH2O3/c1-2(4)5-3;2-1(3)4/h1H3;(H2,2,3,4).
What are the key properties of carbonic acid;fluoro acetate?
carbonic acid;fluoro acetate has a molecular weight of 140.07 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;fluoro acetate is sourced from PubChem (CID 174579483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).