1-fluoroethyl hydrogen carbonate

C3H5FO3 — CID 18413657

IUPAC1-fluoroethyl hydrogen carbonate
SMILESCC(F)OC(=O)O
InChIInChI=1S/C3H5FO3/c1-2(4)7-3(5)6/h2H,1H3,(H,5,6)
InChIKeyBURXUZQXZYGEGR-UHFFFAOYSA-N
MW108.07 g/mol
LogP1.00
Rot. Bonds1

About 1-fluoroethyl hydrogen carbonate

1-fluoroethyl hydrogen carbonate (PubChem CID 18413657) has the molecular formula C3H5FO3 and a molecular weight of 108.07 g/mol. Its IUPAC name is 1-fluoroethyl hydrogen carbonate.

Molecular Properties

Compound Name1-fluoroethyl hydrogen carbonate
PubChem CID18413657
Molecular FormulaC3H5FO3
Molecular Weight108.07 g/mol
Exact Mass108.02
IUPAC Name1-fluoroethyl hydrogen carbonate
SMILESCC(F)OC(=O)O
InChIInChI=1S/C3H5FO3/c1-2(4)7-3(5)6/h2H,1H3,(H,5,6)
InChIKeyBURXUZQXZYGEGR-UHFFFAOYSA-N
XLogP1.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.07
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl hydrogen carbonate?
The IUPAC name of 1-fluoroethyl hydrogen carbonate (CID 18413657) is 1-fluoroethyl hydrogen carbonate.
What is the SMILES notation for 1-fluoroethyl hydrogen carbonate?
The canonical SMILES for 1-fluoroethyl hydrogen carbonate is CC(F)OC(=O)O.
What is the InChIKey of 1-fluoroethyl hydrogen carbonate?
The InChIKey is BURXUZQXZYGEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3/c1-2(4)7-3(5)6/h2H,1H3,(H,5,6).
What are the key properties of 1-fluoroethyl hydrogen carbonate?
1-fluoroethyl hydrogen carbonate has a molecular weight of 108.07 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl hydrogen carbonate is sourced from PubChem (CID 18413657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).