(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene

C16H6F26 — CID 99648675

IUPAC(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C/C=C/CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6F26/c17-7(18,9(21,22)15(37,38)39)5(11(25,26)27,12(28,29)30)3-1-2-4-6(13(31,32)33,14(34,35)36)8(19,20)10(23,24)16(40,41)42/h1-2H,3-4H2/b2-1+
InChIKeyFVKWUSQLPAJKRY-OWOJBTEDSA-N
MW692.17 g/mol
LogP10.21
Rot. Bonds8

About (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene

(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene (PubChem CID 99648675) has the molecular formula C16H6F26 and a molecular weight of 692.17 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene
PubChem CID99648675
Molecular FormulaC16H6F26
Molecular Weight692.17 g/mol
Exact Mass692.01
IUPAC Name(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C/C=C/CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H6F26/c17-7(18,9(21,22)15(37,38)39)5(11(25,26)27,12(28,29)30)3-1-2-4-6(13(31,32)33,14(34,35)36)8(19,20)10(23,24)16(40,41)42/h1-2H,3-4H2/b2-1+
InChIKeyFVKWUSQLPAJKRY-OWOJBTEDSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.17
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene (CID 99648675) is (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene is FC(F)(F)C(F)(F)C(F)(F)C(C/C=C/CC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene?
The InChIKey is FVKWUSQLPAJKRY-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H6F26/c17-7(18,9(21,22)15(37,38)39)5(11(25,26)27,12(28,29)30)3-1-2-4-6(13(31,32)33,14(34,35)36)8(19,20)10(23,24)16(40,41)42/h1-2H,3-4H2/b2-1+.
What are the key properties of (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene?
(E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene has a molecular weight of 692.17 g/mol, XLogP of 10.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene is sourced from PubChem (CID 99648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).