5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane

C15H22F9I — CID 153324207

IUPAC5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane
SMILESCCCCCCCC(I)(CC)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F9I/c1-3-5-6-7-8-9-11(25,4-2)10-12(16,14(19,20)21)13(17,18)15(22,23)24/h3-10H2,1-2H3
InChIKeyQVEFUVXUZRIPOG-UHFFFAOYSA-N
MW500.23 g/mol
LogP7.79
Rot. Bonds10

About 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane

5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane (PubChem CID 153324207) has the molecular formula C15H22F9I and a molecular weight of 500.23 g/mol. Its IUPAC name is 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane.

Molecular Properties

Compound Name5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane
PubChem CID153324207
Molecular FormulaC15H22F9I
Molecular Weight500.23 g/mol
Exact Mass500.06
IUPAC Name5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane
SMILESCCCCCCCC(I)(CC)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H22F9I/c1-3-5-6-7-8-9-11(25,4-2)10-12(16,14(19,20)21)13(17,18)15(22,23)24/h3-10H2,1-2H3
InChIKeyQVEFUVXUZRIPOG-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.23
LogP ≤ 57.79
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'}

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Related Compounds

10-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodoheptadecane
CID 150952693
6-ethyl-1,1,1,2,2,3,3,4,4-nonafluoro-6-iodoundecane
CID 153324032
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
7-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iododecane
CID 153324304
1,1,1,2,2-pentafluoro-3,3-dimethyldodecane
CID 151241914
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2-pentafluoro-3-methylnonan-3-ol
CID 154220543
1,1,1,2,2-pentafluorononadecane
CID 98452406

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane?
The IUPAC name of 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane (CID 153324207) is 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane.
What is the SMILES notation for 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane?
The canonical SMILES for 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane is CCCCCCCC(I)(CC)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane?
The InChIKey is QVEFUVXUZRIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F9I/c1-3-5-6-7-8-9-11(25,4-2)10-12(16,14(19,20)21)13(17,18)15(22,23)24/h3-10H2,1-2H3.
What are the key properties of 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane?
5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane has a molecular weight of 500.23 g/mol, XLogP of 7.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)dodecane is sourced from PubChem (CID 153324207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).