(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene

C22H16F24I2 — CID 161473433

IUPAC(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene
SMILESFC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C22H16F24I2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)47)9-7-5-3-1-2-4-6-8-10-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(45,46)48/h7-10H,1-6H2/b9-7+,10-8+
InChIKeyQFFNIIWENMOGGB-FIFLTTCUSA-N
MW990.13 g/mol
LogP12.85
Rot. Bonds19

About (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene

(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene (PubChem CID 161473433) has the molecular formula C22H16F24I2 and a molecular weight of 990.13 g/mol. Its IUPAC name is (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene.

Molecular Properties

Compound Name(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene
PubChem CID161473433
Molecular FormulaC22H16F24I2
Molecular Weight990.13 g/mol
Exact Mass989.90
IUPAC Name(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene
SMILESFC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C22H16F24I2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)47)9-7-5-3-1-2-4-6-8-10-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(45,46)48/h7-10H,1-6H2/b9-7+,10-8+
InChIKeyQFFNIIWENMOGGB-FIFLTTCUSA-N
XLogP12.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.13
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
CID 12820302
(17E)-9,25-diazido-11,11,12,12,13,13,14,14,15,15,16,16,27,27,28,28,29,29,30,30,31,31,32,32-tetracosafluoro-32-iododotriaconta-1,17-diene
CID 155655883
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
CID 89413596
(Z)-7,7,8,8,9,9,10,10,11,11,12,12-dodecafluorododec-5-ene
CID 10833880
(7E)-10-bromo-9,9,10,10-tetrafluorodeca-1,7-diene
CID 5362812
(E)-6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododec-4-ene
CID 98453175
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorononadec-3-ene
CID 123318581
5-iodo-2-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-5-enyl)benzoate
CID 152723185
heptahexaconta-1,23,66-triene
CID 57275880
icosa-1,9,19-triene
CID 57001912
CID 135082421
CID 135082421
8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-1-ene
CID 88655212

Frequently Asked Questions

What is the IUPAC name of (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene?
The IUPAC name of (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene (CID 161473433) is (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene.
What is the SMILES notation for (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene?
The canonical SMILES for (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene is FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)/C=C/CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene?
The InChIKey is QFFNIIWENMOGGB-FIFLTTCUSA-N. The full InChI is InChI=1S/C22H16F24I2/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)47)9-7-5-3-1-2-4-6-8-10-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(45,46)48/h7-10H,1-6H2/b9-7+,10-8+.
What are the key properties of (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene?
(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene has a molecular weight of 990.13 g/mol, XLogP of 12.85, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene is sourced from PubChem (CID 161473433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).