1-fluoroprop-2-enyl hydrogen carbonate

C4H5FO3 — CID 23455910

IUPAC1-fluoroprop-2-enyl hydrogen carbonate
SMILESC=CC(F)OC(=O)O
InChIInChI=1S/C4H5FO3/c1-2-3(5)8-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyRPDWYKPZXKSGCR-UHFFFAOYSA-N
MW120.08 g/mol
LogP1.16
Rot. Bonds2

About 1-fluoroprop-2-enyl hydrogen carbonate

1-fluoroprop-2-enyl hydrogen carbonate (PubChem CID 23455910) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is 1-fluoroprop-2-enyl hydrogen carbonate.

Molecular Properties

Compound Name1-fluoroprop-2-enyl hydrogen carbonate
PubChem CID23455910
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name1-fluoroprop-2-enyl hydrogen carbonate
SMILESC=CC(F)OC(=O)O
InChIInChI=1S/C4H5FO3/c1-2-3(5)8-4(6)7/h2-3H,1H2,(H,6,7)
InChIKeyRPDWYKPZXKSGCR-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroprop-2-enyl hydrogen carbonate?
The IUPAC name of 1-fluoroprop-2-enyl hydrogen carbonate (CID 23455910) is 1-fluoroprop-2-enyl hydrogen carbonate.
What is the SMILES notation for 1-fluoroprop-2-enyl hydrogen carbonate?
The canonical SMILES for 1-fluoroprop-2-enyl hydrogen carbonate is C=CC(F)OC(=O)O.
What is the InChIKey of 1-fluoroprop-2-enyl hydrogen carbonate?
The InChIKey is RPDWYKPZXKSGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3/c1-2-3(5)8-4(6)7/h2-3H,1H2,(H,6,7).
What are the key properties of 1-fluoroprop-2-enyl hydrogen carbonate?
1-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 1-fluoroprop-2-enyl hydrogen carbonate is sourced from PubChem (CID 23455910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).