2-(trifluoromethyl)dodec-1-ene

C13H23F3 — CID 135085774

IUPAC2-(trifluoromethyl)dodec-1-ene
SMILESC=C(CCCCCCCCCC)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-4-5-6-7-8-9-10-11-12(2)13(14,15)16/h2-11H2,1H3
InChIKeyOIVYJSOMRUXJDV-UHFFFAOYSA-N
MW236.32 g/mol
LogP5.64
Rot. Bonds9

About 2-(trifluoromethyl)dodec-1-ene

2-(trifluoromethyl)dodec-1-ene (PubChem CID 135085774) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(trifluoromethyl)dodec-1-ene.

Molecular Properties

Compound Name2-(trifluoromethyl)dodec-1-ene
PubChem CID135085774
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name2-(trifluoromethyl)dodec-1-ene
SMILESC=C(CCCCCCCCCC)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-4-5-6-7-8-9-10-11-12(2)13(14,15)16/h2-11H2,1H3
InChIKeyOIVYJSOMRUXJDV-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-(trifluoromethyl)dodec-1-ene?
The IUPAC name of 2-(trifluoromethyl)dodec-1-ene (CID 135085774) is 2-(trifluoromethyl)dodec-1-ene.
What is the SMILES notation for 2-(trifluoromethyl)dodec-1-ene?
The canonical SMILES for 2-(trifluoromethyl)dodec-1-ene is C=C(CCCCCCCCCC)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)dodec-1-ene?
The InChIKey is OIVYJSOMRUXJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-3-4-5-6-7-8-9-10-11-12(2)13(14,15)16/h2-11H2,1H3.
What are the key properties of 2-(trifluoromethyl)dodec-1-ene?
2-(trifluoromethyl)dodec-1-ene has a molecular weight of 236.32 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)dodec-1-ene is sourced from PubChem (CID 135085774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).