[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate

C17H30F2O2 — CID 141495452

IUPAC[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate
SMILESCCCC/C=C\CCCCCCCCOC(=O)C(C)(F)F
InChIInChI=1S/C17H30F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16(20)17(2,18)19/h6-7H,3-5,8-15H2,1-2H3/b7-6-
InChIKeyAIZOMJOGUMZBJF-SREVYHEPSA-N
MW304.42 g/mol
LogP5.66
Rot. Bonds13

About [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate

[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate (PubChem CID 141495452) has the molecular formula C17H30F2O2 and a molecular weight of 304.42 g/mol. Its IUPAC name is [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate
PubChem CID141495452
Molecular FormulaC17H30F2O2
Molecular Weight304.42 g/mol
Exact Mass304.22
IUPAC Name[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate
SMILESCCCC/C=C\CCCCCCCCOC(=O)C(C)(F)F
InChIInChI=1S/C17H30F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16(20)17(2,18)19/h6-7H,3-5,8-15H2,1-2H3/b7-6-
InChIKeyAIZOMJOGUMZBJF-SREVYHEPSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.66
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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Related Compounds

[(Z)-dec-4-enyl] 2,2,2-trifluoroacetate
CID 91691240
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293
bis[(E)-tetradec-9-enyl] butanedioate
CID 101280867
bis(dodec-7-enyl) (Z)-but-2-enedioate
CID 175499448
bis[(E)-dodec-7-enyl] butanedioate
CID 101280844
[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(Z)-dec-5-enyl] acetate
CID 5363513
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
hexadec-8-enyl acetate
CID 538136
octadec-8-enyl acetate
CID 538134
[(Z)-icos-11-enyl] acetate
CID 11493805

Frequently Asked Questions

What is the IUPAC name of [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate?
The IUPAC name of [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate (CID 141495452) is [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate.
What is the SMILES notation for [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate?
The canonical SMILES for [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate is CCCC/C=C\CCCCCCCCOC(=O)C(C)(F)F.
What is the InChIKey of [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate?
The InChIKey is AIZOMJOGUMZBJF-SREVYHEPSA-N. The full InChI is InChI=1S/C17H30F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16(20)17(2,18)19/h6-7H,3-5,8-15H2,1-2H3/b7-6-.
What are the key properties of [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate?
[(Z)-tetradec-9-enyl] 2,2-difluoropropanoate has a molecular weight of 304.42 g/mol, XLogP of 5.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-tetradec-9-enyl] 2,2-difluoropropanoate is sourced from PubChem (CID 141495452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).