(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate

C4H5FO6 — CID 87150454

IUPAC(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate
SMILESO=C(O)OCC(F)OC(=O)O
InChIInChI=1S/C4H5FO6/c5-2(11-4(8)9)1-10-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKeyWNRAJRRBJDPJFT-UHFFFAOYSA-N
MW168.08 g/mol
LogP0.67
Rot. Bonds3

About (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate

(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate (PubChem CID 87150454) has the molecular formula C4H5FO6 and a molecular weight of 168.08 g/mol. Its IUPAC name is (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate
PubChem CID87150454
Molecular FormulaC4H5FO6
Molecular Weight168.08 g/mol
Exact Mass168.01
IUPAC Name(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate
SMILESO=C(O)OCC(F)OC(=O)O
InChIInChI=1S/C4H5FO6/c5-2(11-4(8)9)1-10-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKeyWNRAJRRBJDPJFT-UHFFFAOYSA-N
XLogP0.67
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate?
The IUPAC name of (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate (CID 87150454) is (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate.
What is the SMILES notation for (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate?
The canonical SMILES for (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate is O=C(O)OCC(F)OC(=O)O.
What is the InChIKey of (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate?
The InChIKey is WNRAJRRBJDPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO6/c5-2(11-4(8)9)1-10-3(6)7/h2H,1H2,(H,6,7)(H,8,9).
What are the key properties of (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate?
(2-carboxyoxy-1-fluoroethyl) hydrogen carbonate has a molecular weight of 168.08 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxyoxy-1-fluoroethyl) hydrogen carbonate is sourced from PubChem (CID 87150454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).