[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate

C15H23F5O2 — CID 91691341

IUPAC[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-13(21)14(16,17)15(18,19)20/h10-11H,2-9,12H2,1H3/b11-10+
InChIKeyXQULQGQTCWDDGX-ZHACJKMWSA-N
MW330.34 g/mol
LogP5.42
Rot. Bonds11

About [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate

[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91691341) has the molecular formula C15H23F5O2 and a molecular weight of 330.34 g/mol. Its IUPAC name is [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID91691341
Molecular FormulaC15H23F5O2
Molecular Weight330.34 g/mol
Exact Mass330.16
IUPAC Name[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-13(21)14(16,17)15(18,19)20/h10-11H,2-9,12H2,1H3/b11-10+
InChIKeyXQULQGQTCWDDGX-ZHACJKMWSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.42
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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Related Compounds

2-Nonenyl acetate, (2E)-
CID 6365451
2-Decenyl acetate
CID 86882
2-Undecen-1-ol, 1-acetate
CID 110372
Acetic acid trans-2-decen-1-YL ester
CID 5363207
2-Tridecen-1-ol, 1-acetate
CID 110371
2-Tridecen-1-ol, acetate
CID 6437544
2-Dodecen-1-ol, 1-acetate
CID 170040
2-Undecenyl acetate
CID 5363202
2-Dodecenyl acetate
CID 6441593
(Z)-2-Nonenyl propionate
CID 6450502
Non-2-enyl acetate
CID 121704
2,2-Difluoro-3-tetradecenoic acid ethyl ester
CID 89483928

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate (CID 91691341) is [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate is CCCCCCCCC/C=C/COC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is XQULQGQTCWDDGX-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H23F5O2/c1-2-3-4-5-6-7-8-9-10-11-12-22-13(21)14(16,17)15(18,19)20/h10-11H,2-9,12H2,1H3/b11-10+.
What are the key properties of [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate?
[(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 330.34 g/mol, XLogP of 5.42, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91691341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).