2-fluoroethyl prop-2-enyl carbonate

C6H9FO3 — CID 87091365

IUPAC2-fluoroethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCF
InChIInChI=1S/C6H9FO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2
InChIKeyUAUDGNZFBDTNME-UHFFFAOYSA-N
MW148.13 g/mol
LogP1.30
Rot. Bonds4

About 2-fluoroethyl prop-2-enyl carbonate

2-fluoroethyl prop-2-enyl carbonate (PubChem CID 87091365) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-fluoroethyl prop-2-enyl carbonate.

Molecular Properties

Compound Name2-fluoroethyl prop-2-enyl carbonate
PubChem CID87091365
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-fluoroethyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCCF
InChIInChI=1S/C6H9FO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2
InChIKeyUAUDGNZFBDTNME-UHFFFAOYSA-N
XLogP1.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-fluoroethyl prop-2-enyl carbonate?
The IUPAC name of 2-fluoroethyl prop-2-enyl carbonate (CID 87091365) is 2-fluoroethyl prop-2-enyl carbonate.
What is the SMILES notation for 2-fluoroethyl prop-2-enyl carbonate?
The canonical SMILES for 2-fluoroethyl prop-2-enyl carbonate is C=CCOC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl prop-2-enyl carbonate?
The InChIKey is UAUDGNZFBDTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c1-2-4-9-6(8)10-5-3-7/h2H,1,3-5H2.
What are the key properties of 2-fluoroethyl prop-2-enyl carbonate?
2-fluoroethyl prop-2-enyl carbonate has a molecular weight of 148.13 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl prop-2-enyl carbonate is sourced from PubChem (CID 87091365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).