10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene

C34H41F24I3 — CID 166921781

IUPAC10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene
SMILESC=CCCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C34H41F24I3/c1-6-7-8-9-12-18(59)15-23(4,5)27(43,44)31(51,52)34(57,58)32(53,54)28(45,46)24(37,38)17-20(61)14-11-10-13-19(60)16-22(2,3)26(41,42)30(49,50)33(55,56)29(47,48)25(39,40)21(35)36/h6,18-21H,1,7-17H2,2-5H3
InChIKeyHWVZHDLORBFUDA-UHFFFAOYSA-N
MW1286.37 g/mol
LogP17.18
Rot. Bonds28

About 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene

10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene (PubChem CID 166921781) has the molecular formula C34H41F24I3 and a molecular weight of 1286.37 g/mol. Its IUPAC name is 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene.

Molecular Properties

Compound Name10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene
PubChem CID166921781
Molecular FormulaC34H41F24I3
Molecular Weight1286.37 g/mol
Exact Mass1286.00
IUPAC Name10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene
SMILESC=CCCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C34H41F24I3/c1-6-7-8-9-12-18(59)15-23(4,5)27(43,44)31(51,52)34(57,58)32(53,54)28(45,46)24(37,38)17-20(61)14-11-10-13-19(60)16-22(2,3)26(41,42)30(49,50)33(55,56)29(47,48)25(39,40)21(35)36/h6,18-21H,1,7-17H2,2-5H3
InChIKeyHWVZHDLORBFUDA-UHFFFAOYSA-N
XLogP17.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.37
LogP ≤ 517.18
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 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene with MolForge

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Related Compounds

1-(7,7,8,8,9,9,10,10,11,11,12,12-dodecafluoro-5,12-diiodododecoxy)-4-[7,7,8,8,9,9,10,10,11,11,12,12-dodecafluoro-18-(4-hex-5-enoxyphenoxy)-5,14-diiodooctadecoxy]benzene
CID 162706934
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-tetratriacontafluoro-10,15-diiodotetracosane
CID 138396333
2,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-heptadecafluoroundecanal
CID 19812630
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
CID 88654871
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodopentadecane
CID 13299952
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodooctacosane
CID 138396315
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodotriacontane
CID 138396319
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadec-1-en-10-ol
CID 154477198
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-iodohexadecane
CID 138396291
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-hexadecafluoro-10-iodo-2-(1,1,2,2-tetrafluoro-2-sulfoethoxy)nonadecanoic acid
CID 91171609
1,1,1,2,2,3,3,4,4,5,5,6,6,13,13,14,14,15,15,16,16,17,17,18,18,18-hexacosafluoro-8,11-diiodooctadecane
CID 138396324
9,9,10,10,11,11,12,12,13,13,14,14,14-tridecafluoro-7-iodotetradecane-1,2-diol
CID 10257824

Frequently Asked Questions

What is the IUPAC name of 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene?
The IUPAC name of 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene (CID 166921781) is 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene.
What is the SMILES notation for 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene?
The canonical SMILES for 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene is C=CCCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCC(I)CC(C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene?
The InChIKey is HWVZHDLORBFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F24I3/c1-6-7-8-9-12-18(59)15-23(4,5)27(43,44)31(51,52)34(57,58)32(53,54)28(45,46)24(37,38)17-20(61)14-11-10-13-19(60)16-22(2,3)26(41,42)30(49,50)33(55,56)29(47,48)25(39,40)21(35)36/h6,18-21H,1,7-17H2,2-5H3.
What are the key properties of 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene?
10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene has a molecular weight of 1286.37 g/mol, XLogP of 17.18, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,11,11,12,12,13,13,14,14,15,15,25,25,26,26,27,27,28,28,29,29,30,30-tetracosafluoro-7,17,22-triiodo-9,9,24,24-tetramethyltriacont-1-ene is sourced from PubChem (CID 166921781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).