(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene

C12F24 — CID 10531628

IUPAC(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F24/c13-1(3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33)2(14)4(17,18)6(21,22)8(25,26)10(29,30)12(34,35)36/b2-1+
InChIKeyGECSCRDHDMNHCN-OWOJBTEDSA-N
MW600.08 g/mol
LogP8.34
Rot. Bonds8

About (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene

(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene (PubChem CID 10531628) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene
PubChem CID10531628
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F24/c13-1(3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33)2(14)4(17,18)6(21,22)8(25,26)10(29,30)12(34,35)36/b2-1+
InChIKeyGECSCRDHDMNHCN-OWOJBTEDSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene with MolForge

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Related Compounds

1,2,3,3,4,4,5,5,6,6-Decafluorocyclohex-1-ene
CID 67738
Perfluorocyclopentene
CID 11212
Perfluorohept-3-ene
CID 10926147
(2E)-1,1,1,2,3,4,4,5,5,6,6,6-Dodecafluorohex-2-ene
CID 2782406
(2E)-1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooct-2-ene
CID 2782410
(2E)-1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 2778718
1,1,1,2,3,4,4,5,5,6,6,7,7,8,8,8-Hexadecafluorooct-2-ene
CID 3673663
Perfluoro-2-hexene
CID 4339537
1,1,1,2,3,4,4,5,5,6,6,7,7,7-Tetradecafluorohept-2-ene
CID 53395405
1,1,1,2,2,3,4,5,5,6,6,7,7,7-Tetradecafluorohept-3-ene
CID 54342839
1,1,2,3,3,4,4,5,5,6,6,7,8,8-Tetradecafluoroocta-1,7-diene
CID 12808571
Dodecafluorocycloheptene
CID 12856909

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene (CID 10531628) is (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene is F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene?
The InChIKey is GECSCRDHDMNHCN-OWOJBTEDSA-N. The full InChI is InChI=1S/C12F24/c13-1(3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)33)2(14)4(17,18)6(21,22)8(25,26)10(29,30)12(34,35)36/b2-1+.
What are the key properties of (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene?
(E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene has a molecular weight of 600.08 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,4,4,5,5,6,7,8,8,9,9,10,10,11,11,12,12,12-tetracosafluorododec-6-ene is sourced from PubChem (CID 10531628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).