[(Z)-11,11-difluorododec-9-enyl] acetate

C14H24F2O2 — CID 14521711

IUPAC[(Z)-11,11-difluorododec-9-enyl] acetate
SMILESCC(=O)OCCCCCCCC/C=C\C(C)(F)F
InChIInChI=1S/C14H24F2O2/c1-13(17)18-12-10-8-6-4-3-5-7-9-11-14(2,15)16/h9,11H,3-8,10,12H2,1-2H3/b11-9-
InChIKeyXRYUEUXQCVPHNH-LUAWRHEFSA-N
MW262.34 g/mol
LogP4.49
Rot. Bonds10

About [(Z)-11,11-difluorododec-9-enyl] acetate

[(Z)-11,11-difluorododec-9-enyl] acetate (PubChem CID 14521711) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is [(Z)-11,11-difluorododec-9-enyl] acetate.

Molecular Properties

Compound Name[(Z)-11,11-difluorododec-9-enyl] acetate
PubChem CID14521711
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name[(Z)-11,11-difluorododec-9-enyl] acetate
SMILESCC(=O)OCCCCCCCC/C=C\C(C)(F)F
InChIInChI=1S/C14H24F2O2/c1-13(17)18-12-10-8-6-4-3-5-7-9-11-14(2,15)16/h9,11H,3-8,10,12H2,1-2H3/b11-9-
InChIKeyXRYUEUXQCVPHNH-LUAWRHEFSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.49
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 [(Z)-11,11-difluorododec-9-enyl] acetate?
The IUPAC name of [(Z)-11,11-difluorododec-9-enyl] acetate (CID 14521711) is [(Z)-11,11-difluorododec-9-enyl] acetate.
What is the SMILES notation for [(Z)-11,11-difluorododec-9-enyl] acetate?
The canonical SMILES for [(Z)-11,11-difluorododec-9-enyl] acetate is CC(=O)OCCCCCCCC/C=C\C(C)(F)F.
What is the InChIKey of [(Z)-11,11-difluorododec-9-enyl] acetate?
The InChIKey is XRYUEUXQCVPHNH-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-13(17)18-12-10-8-6-4-3-5-7-9-11-14(2,15)16/h9,11H,3-8,10,12H2,1-2H3/b11-9-.
What are the key properties of [(Z)-11,11-difluorododec-9-enyl] acetate?
[(Z)-11,11-difluorododec-9-enyl] acetate has a molecular weight of 262.34 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11,11-difluorododec-9-enyl] acetate is sourced from PubChem (CID 14521711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).