dec-9-enyl 2,2,3,3,3-pentafluoropropanoate

C13H19F5O2 — CID 91692410

IUPACdec-9-enyl 2,2,3,3,3-pentafluoropropanoate
SMILESC=CCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2H,1,3-10H2
InChIKeyOCXPZJAQWPSRBU-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.64
Rot. Bonds10

About dec-9-enyl 2,2,3,3,3-pentafluoropropanoate

dec-9-enyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91692410) has the molecular formula C13H19F5O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is dec-9-enyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Namedec-9-enyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91692410
Molecular FormulaC13H19F5O2
Molecular Weight302.28 g/mol
Exact Mass302.13
IUPAC Namedec-9-enyl 2,2,3,3,3-pentafluoropropanoate
SMILESC=CCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2H,1,3-10H2
InChIKeyOCXPZJAQWPSRBU-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.64
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-9-enyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of dec-9-enyl 2,2,3,3,3-pentafluoropropanoate (CID 91692410) is dec-9-enyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for dec-9-enyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for dec-9-enyl 2,2,3,3,3-pentafluoropropanoate is C=CCCCCCCCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of dec-9-enyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is OCXPZJAQWPSRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2H,1,3-10H2.
What are the key properties of dec-9-enyl 2,2,3,3,3-pentafluoropropanoate?
dec-9-enyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 302.28 g/mol, XLogP of 4.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91692410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).