[(Z)-7,7-difluorododec-8-enyl] acetate

C14H24F2O2 — CID 14354629

IUPAC[(Z)-7,7-difluorododec-8-enyl] acetate
SMILESCCC/C=C\C(F)(F)CCCCCCOC(C)=O
InChIInChI=1S/C14H24F2O2/c1-3-4-7-10-14(15,16)11-8-5-6-9-12-18-13(2)17/h7,10H,3-6,8-9,11-12H2,1-2H3/b10-7-
InChIKeyQXRHOBWXLBAWOX-YFHOEESVSA-N
MW262.34 g/mol
LogP4.49
Rot. Bonds10

About [(Z)-7,7-difluorododec-8-enyl] acetate

[(Z)-7,7-difluorododec-8-enyl] acetate (PubChem CID 14354629) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is [(Z)-7,7-difluorododec-8-enyl] acetate.

Molecular Properties

Compound Name[(Z)-7,7-difluorododec-8-enyl] acetate
PubChem CID14354629
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name[(Z)-7,7-difluorododec-8-enyl] acetate
SMILESCCC/C=C\C(F)(F)CCCCCCOC(C)=O
InChIInChI=1S/C14H24F2O2/c1-3-4-7-10-14(15,16)11-8-5-6-9-12-18-13(2)17/h7,10H,3-6,8-9,11-12H2,1-2H3/b10-7-
InChIKeyQXRHOBWXLBAWOX-YFHOEESVSA-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)-7,7-difluorododec-8-enyl] acetate?
The IUPAC name of [(Z)-7,7-difluorododec-8-enyl] acetate (CID 14354629) is [(Z)-7,7-difluorododec-8-enyl] acetate.
What is the SMILES notation for [(Z)-7,7-difluorododec-8-enyl] acetate?
The canonical SMILES for [(Z)-7,7-difluorododec-8-enyl] acetate is CCC/C=C\C(F)(F)CCCCCCOC(C)=O.
What is the InChIKey of [(Z)-7,7-difluorododec-8-enyl] acetate?
The InChIKey is QXRHOBWXLBAWOX-YFHOEESVSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-3-4-7-10-14(15,16)11-8-5-6-9-12-18-13(2)17/h7,10H,3-6,8-9,11-12H2,1-2H3/b10-7-.
What are the key properties of [(Z)-7,7-difluorododec-8-enyl] acetate?
[(Z)-7,7-difluorododec-8-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)-7,7-difluorododec-8-enyl] acetate is sourced from PubChem (CID 14354629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).