2-fluoroethyl hydrogen carbonate

C3H5FO3 — CID 21435686

IUPAC2-fluoroethyl hydrogen carbonate
SMILESO=C(O)OCCF
InChIInChI=1S/C3H5FO3/c4-1-2-7-3(5)6/h1-2H2,(H,5,6)
InChIKeyAEVUQUSVRLQLQG-UHFFFAOYSA-N
MW108.07 g/mol
LogP0.65
Rot. Bonds2

About 2-fluoroethyl hydrogen carbonate

2-fluoroethyl hydrogen carbonate (PubChem CID 21435686) has the molecular formula C3H5FO3 and a molecular weight of 108.07 g/mol. Its IUPAC name is 2-fluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name2-fluoroethyl hydrogen carbonate
PubChem CID21435686
Molecular FormulaC3H5FO3
Molecular Weight108.07 g/mol
Exact Mass108.02
IUPAC Name2-fluoroethyl hydrogen carbonate
SMILESO=C(O)OCCF
InChIInChI=1S/C3H5FO3/c4-1-2-7-3(5)6/h1-2H2,(H,5,6)
InChIKeyAEVUQUSVRLQLQG-UHFFFAOYSA-N
XLogP0.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl hydrogen carbonate?
The IUPAC name of 2-fluoroethyl hydrogen carbonate (CID 21435686) is 2-fluoroethyl hydrogen carbonate.
What is the SMILES notation for 2-fluoroethyl hydrogen carbonate?
The canonical SMILES for 2-fluoroethyl hydrogen carbonate is O=C(O)OCCF.
What is the InChIKey of 2-fluoroethyl hydrogen carbonate?
The InChIKey is AEVUQUSVRLQLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3/c4-1-2-7-3(5)6/h1-2H2,(H,5,6).
What are the key properties of 2-fluoroethyl hydrogen carbonate?
2-fluoroethyl hydrogen carbonate has a molecular weight of 108.07 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl hydrogen carbonate is sourced from PubChem (CID 21435686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).