6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane

C16H22F11I — CID 153324190

IUPAC6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
SMILESCCCCCCCC(I)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H22F11I/c1-3-5-6-7-8-9-11(28)10(4-2)12(17,18)13(19,20)14(21,22)15(23,24)16(25,26)27/h10-11H,3-9H2,1-2H3
InChIKeyJXXUMJWDCLRRFL-UHFFFAOYSA-N
MW550.23 g/mol
LogP8.28
Rot. Bonds12

About 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane

6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane (PubChem CID 153324190) has the molecular formula C16H22F11I and a molecular weight of 550.23 g/mol. Its IUPAC name is 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane.

Molecular Properties

Compound Name6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
PubChem CID153324190
Molecular FormulaC16H22F11I
Molecular Weight550.23 g/mol
Exact Mass550.06
IUPAC Name6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
SMILESCCCCCCCC(I)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H22F11I/c1-3-5-6-7-8-9-11(28)10(4-2)12(17,18)13(19,20)14(21,22)15(23,24)16(25,26)27/h10-11H,3-9H2,1-2H3
InChIKeyJXXUMJWDCLRRFL-UHFFFAOYSA-N
XLogP8.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.23
LogP ≤ 58.28
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane 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

7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
3-ethyl-1,1,1,2,2-pentafluoro-4-iododecane
CID 151146278
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane
CID 153324172
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadecan-7-ol
CID 149252552
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292
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-pentadecafluoro-9-iodopentadecane
CID 13299952
1,1,1,2,2,3-hexafluoro-5-iodo-4-methyl-3-(trifluoromethyl)pentadecane
CID 150274248
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
trichloro(1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorononacosan-13-yl)silane
CID 175360578
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-9-methyldodecane
CID 153324145

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane?
The IUPAC name of 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane (CID 153324190) is 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane.
What is the SMILES notation for 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane?
The canonical SMILES for 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane is CCCCCCCC(I)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane?
The InChIKey is JXXUMJWDCLRRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F11I/c1-3-5-6-7-8-9-11(28)10(4-2)12(17,18)13(19,20)14(21,22)15(23,24)16(25,26)27/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane?
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane has a molecular weight of 550.23 g/mol, XLogP of 8.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane is sourced from PubChem (CID 153324190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).