1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane

C17H24F11I — CID 153324172

IUPAC1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane
SMILESCCCCCCCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H24F11I/c1-3-4-5-6-7-8-9-10-12(29)11(2)13(18,16(23,24)25)14(19,20)15(21,22)17(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyOMARSGQAMOLFGC-UHFFFAOYSA-N
MW564.26 g/mol
LogP8.67
Rot. Bonds12

About 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane

1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane (PubChem CID 153324172) has the molecular formula C17H24F11I and a molecular weight of 564.26 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane
PubChem CID153324172
Molecular FormulaC17H24F11I
Molecular Weight564.26 g/mol
Exact Mass564.07
IUPAC Name1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane
SMILESCCCCCCCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H24F11I/c1-3-4-5-6-7-8-9-10-12(29)11(2)13(18,16(23,24)25)14(19,20)15(21,22)17(26,27)28/h11-12H,3-10H2,1-2H3
InChIKeyOMARSGQAMOLFGC-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.26
LogP ≤ 58.67
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 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane with MolForge

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Related Compounds

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-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
1,1,1,2-tetrafluoro-4-iodo-3-methyl-2-(trifluoromethyl)octane
CID 150517923
7-ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctadecane
CID 151414921
6-ethyl-1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodotetradecane
CID 153324190
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
2,3-diiododecane
CID 14475432
3-ethyl-1,1,1,2,2-pentafluoro-4-iododecane
CID 151146278
ethyl 2,2-difluoro-4-iodo-3-methylundecanoate
CID 153324362
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methylundecane
CID 177342292

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane?
The IUPAC name of 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane (CID 153324172) is 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane?
The canonical SMILES for 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane is CCCCCCCCCC(I)C(C)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane?
The InChIKey is OMARSGQAMOLFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F11I/c1-3-4-5-6-7-8-9-10-12(29)11(2)13(18,16(23,24)25)14(19,20)15(21,22)17(26,27)28/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane?
1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane has a molecular weight of 564.26 g/mol, XLogP of 8.67, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4-octafluoro-6-iodo-5-methyl-4-(trifluoromethyl)pentadecane is sourced from PubChem (CID 153324172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).