[(E)-1-fluorodec-4-enyl] acetate

C12H21FO2 — CID 15210800

IUPAC[(E)-1-fluorodec-4-enyl] acetate
SMILESCCCCC/C=C/CCC(F)OC(C)=O
InChIInChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-12(13)15-11(2)14/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyWTYHPVULAPRZGQ-BQYQJAHWSA-N
MW216.30 g/mol
LogP3.76
Rot. Bonds8

About [(E)-1-fluorodec-4-enyl] acetate

[(E)-1-fluorodec-4-enyl] acetate (PubChem CID 15210800) has the molecular formula C12H21FO2 and a molecular weight of 216.30 g/mol. Its IUPAC name is [(E)-1-fluorodec-4-enyl] acetate.

Molecular Properties

Compound Name[(E)-1-fluorodec-4-enyl] acetate
PubChem CID15210800
Molecular FormulaC12H21FO2
Molecular Weight216.30 g/mol
Exact Mass216.15
IUPAC Name[(E)-1-fluorodec-4-enyl] acetate
SMILESCCCCC/C=C/CCC(F)OC(C)=O
InChIInChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-12(13)15-11(2)14/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+
InChIKeyWTYHPVULAPRZGQ-BQYQJAHWSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 53.76
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 [(E)-1-fluorodec-4-enyl] acetate?
The IUPAC name of [(E)-1-fluorodec-4-enyl] acetate (CID 15210800) is [(E)-1-fluorodec-4-enyl] acetate.
What is the SMILES notation for [(E)-1-fluorodec-4-enyl] acetate?
The canonical SMILES for [(E)-1-fluorodec-4-enyl] acetate is CCCCC/C=C/CCC(F)OC(C)=O.
What is the InChIKey of [(E)-1-fluorodec-4-enyl] acetate?
The InChIKey is WTYHPVULAPRZGQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H21FO2/c1-3-4-5-6-7-8-9-10-12(13)15-11(2)14/h7-8,12H,3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of [(E)-1-fluorodec-4-enyl] acetate?
[(E)-1-fluorodec-4-enyl] acetate has a molecular weight of 216.30 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-fluorodec-4-enyl] acetate is sourced from PubChem (CID 15210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).