ethyl 2,2-difluoronon-8-enoate

C11H18F2O2 — CID 10443444

IUPACethyl 2,2-difluoronon-8-enoate
SMILESC=CCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C11H18F2O2/c1-3-5-6-7-8-9-11(12,13)10(14)15-4-2/h3H,1,4-9H2,2H3
InChIKeyWSKRDNHVTBSXTH-UHFFFAOYSA-N
MW220.26 g/mol
LogP3.32
Rot. Bonds8

About ethyl 2,2-difluoronon-8-enoate

ethyl 2,2-difluoronon-8-enoate (PubChem CID 10443444) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is ethyl 2,2-difluoronon-8-enoate.

Molecular Properties

Compound Nameethyl 2,2-difluoronon-8-enoate
PubChem CID10443444
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Nameethyl 2,2-difluoronon-8-enoate
SMILESC=CCCCCCC(F)(F)C(=O)OCC
InChIInChI=1S/C11H18F2O2/c1-3-5-6-7-8-9-11(12,13)10(14)15-4-2/h3H,1,4-9H2,2H3
InChIKeyWSKRDNHVTBSXTH-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoronon-8-enoate?
The IUPAC name of ethyl 2,2-difluoronon-8-enoate (CID 10443444) is ethyl 2,2-difluoronon-8-enoate.
What is the SMILES notation for ethyl 2,2-difluoronon-8-enoate?
The canonical SMILES for ethyl 2,2-difluoronon-8-enoate is C=CCCCCCC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 2,2-difluoronon-8-enoate?
The InChIKey is WSKRDNHVTBSXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-3-5-6-7-8-9-11(12,13)10(14)15-4-2/h3H,1,4-9H2,2H3.
What are the key properties of ethyl 2,2-difluoronon-8-enoate?
ethyl 2,2-difluoronon-8-enoate has a molecular weight of 220.26 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoronon-8-enoate is sourced from PubChem (CID 10443444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).