1-fluoroethyl 2-methoxyethyl carbonate

C6H11FO4 — CID 118690350

IUPAC1-fluoroethyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OC(C)F
InChIInChI=1S/C6H11FO4/c1-5(7)11-6(8)10-4-3-9-2/h5H,3-4H2,1-2H3
InChIKeyLLGVRRKWELRATP-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.10
Rot. Bonds4

About 1-fluoroethyl 2-methoxyethyl carbonate

1-fluoroethyl 2-methoxyethyl carbonate (PubChem CID 118690350) has the molecular formula C6H11FO4 and a molecular weight of 166.15 g/mol. Its IUPAC name is 1-fluoroethyl 2-methoxyethyl carbonate.

Molecular Properties

Compound Name1-fluoroethyl 2-methoxyethyl carbonate
PubChem CID118690350
Molecular FormulaC6H11FO4
Molecular Weight166.15 g/mol
Exact Mass166.06
IUPAC Name1-fluoroethyl 2-methoxyethyl carbonate
SMILESCOCCOC(=O)OC(C)F
InChIInChI=1S/C6H11FO4/c1-5(7)11-6(8)10-4-3-9-2/h5H,3-4H2,1-2H3
InChIKeyLLGVRRKWELRATP-UHFFFAOYSA-N
XLogP1.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroethyl 2-methoxyethyl carbonate?
The IUPAC name of 1-fluoroethyl 2-methoxyethyl carbonate (CID 118690350) is 1-fluoroethyl 2-methoxyethyl carbonate.
What is the SMILES notation for 1-fluoroethyl 2-methoxyethyl carbonate?
The canonical SMILES for 1-fluoroethyl 2-methoxyethyl carbonate is COCCOC(=O)OC(C)F.
What is the InChIKey of 1-fluoroethyl 2-methoxyethyl carbonate?
The InChIKey is LLGVRRKWELRATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4/c1-5(7)11-6(8)10-4-3-9-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-fluoroethyl 2-methoxyethyl carbonate?
1-fluoroethyl 2-methoxyethyl carbonate has a molecular weight of 166.15 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethyl 2-methoxyethyl carbonate is sourced from PubChem (CID 118690350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).