3-fluoroprop-2-enyl hydrogen carbonate

C4H5FO3 — CID 154021642

IUPAC3-fluoroprop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=CF
InChIInChI=1S/C4H5FO3/c5-2-1-3-8-4(6)7/h1-2H,3H2,(H,6,7)
InChIKeyQUSVESKNVQODPK-UHFFFAOYSA-N
MW120.08 g/mol
LogP1.16
Rot. Bonds2

About 3-fluoroprop-2-enyl hydrogen carbonate

3-fluoroprop-2-enyl hydrogen carbonate (PubChem CID 154021642) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is 3-fluoroprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name3-fluoroprop-2-enyl hydrogen carbonate
PubChem CID154021642
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name3-fluoroprop-2-enyl hydrogen carbonate
SMILESO=C(O)OCC=CF
InChIInChI=1S/C4H5FO3/c5-2-1-3-8-4(6)7/h1-2H,3H2,(H,6,7)
InChIKeyQUSVESKNVQODPK-UHFFFAOYSA-N
XLogP1.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-2-enyl hydrogen carbonate?
The IUPAC name of 3-fluoroprop-2-enyl hydrogen carbonate (CID 154021642) is 3-fluoroprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 3-fluoroprop-2-enyl hydrogen carbonate?
The canonical SMILES for 3-fluoroprop-2-enyl hydrogen carbonate is O=C(O)OCC=CF.
What is the InChIKey of 3-fluoroprop-2-enyl hydrogen carbonate?
The InChIKey is QUSVESKNVQODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c5-2-1-3-8-4(6)7/h1-2H,3H2,(H,6,7).
What are the key properties of 3-fluoroprop-2-enyl hydrogen carbonate?
3-fluoroprop-2-enyl hydrogen carbonate has a molecular weight of 120.08 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 154021642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).