2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate

C15H17F3O6 — CID 15055474

IUPAC2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(CC)(COC(=O)C(=C)F)COC(=O)C(=C)F
InChIInChI=1S/C15H17F3O6/c1-5-15(6-22-12(19)9(2)16,7-23-13(20)10(3)17)8-24-14(21)11(4)18/h2-8H2,1H3
InChIKeyIGLOMTNZDNIEMZ-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.46
Rot. Bonds10

About 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate

2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate (PubChem CID 15055474) has the molecular formula C15H17F3O6 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate
PubChem CID15055474
Molecular FormulaC15H17F3O6
Molecular Weight350.29 g/mol
Exact Mass350.10
IUPAC Name2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OCC(CC)(COC(=O)C(=C)F)COC(=O)C(=C)F
InChIInChI=1S/C15H17F3O6/c1-5-15(6-22-12(19)9(2)16,7-23-13(20)10(3)17)8-24-14(21)11(4)18/h2-8H2,1H3
InChIKeyIGLOMTNZDNIEMZ-UHFFFAOYSA-N
XLogP2.46
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate?
The IUPAC name of 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate (CID 15055474) is 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate.
What is the SMILES notation for 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate?
The canonical SMILES for 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OCC(CC)(COC(=O)C(=C)F)COC(=O)C(=C)F.
What is the InChIKey of 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate?
The InChIKey is IGLOMTNZDNIEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3O6/c1-5-15(6-22-12(19)9(2)16,7-23-13(20)10(3)17)8-24-14(21)11(4)18/h2-8H2,1H3.
What are the key properties of 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate?
2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate has a molecular weight of 350.29 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-fluoroprop-2-enoyloxymethyl)butyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 15055474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).