bis(4-fluoropent-4-enyl) oxalate

C12H16F2O4 — CID 155053254

IUPACbis(4-fluoropent-4-enyl) oxalate
SMILESC=C(F)CCCOC(=O)C(=O)OCCCC(=C)F
InChIInChI=1S/C12H16F2O4/c1-9(13)5-3-7-17-11(15)12(16)18-8-4-6-10(2)14/h1-8H2
InChIKeyVPZZOBKTXBMQEG-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.60
Rot. Bonds8

About bis(4-fluoropent-4-enyl) oxalate

bis(4-fluoropent-4-enyl) oxalate (PubChem CID 155053254) has the molecular formula C12H16F2O4 and a molecular weight of 262.25 g/mol. Its IUPAC name is bis(4-fluoropent-4-enyl) oxalate.

Molecular Properties

Compound Namebis(4-fluoropent-4-enyl) oxalate
PubChem CID155053254
Molecular FormulaC12H16F2O4
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Namebis(4-fluoropent-4-enyl) oxalate
SMILESC=C(F)CCCOC(=O)C(=O)OCCCC(=C)F
InChIInChI=1S/C12H16F2O4/c1-9(13)5-3-7-17-11(15)12(16)18-8-4-6-10(2)14/h1-8H2
InChIKeyVPZZOBKTXBMQEG-UHFFFAOYSA-N
XLogP2.60
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluoropent-4-enyl) oxalate?
The IUPAC name of bis(4-fluoropent-4-enyl) oxalate (CID 155053254) is bis(4-fluoropent-4-enyl) oxalate.
What is the SMILES notation for bis(4-fluoropent-4-enyl) oxalate?
The canonical SMILES for bis(4-fluoropent-4-enyl) oxalate is C=C(F)CCCOC(=O)C(=O)OCCCC(=C)F.
What is the InChIKey of bis(4-fluoropent-4-enyl) oxalate?
The InChIKey is VPZZOBKTXBMQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O4/c1-9(13)5-3-7-17-11(15)12(16)18-8-4-6-10(2)14/h1-8H2.
What are the key properties of bis(4-fluoropent-4-enyl) oxalate?
bis(4-fluoropent-4-enyl) oxalate has a molecular weight of 262.25 g/mol, XLogP of 2.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluoropent-4-enyl) oxalate is sourced from PubChem (CID 155053254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).