1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane

C18H24F11I — CID 153324130

IUPAC1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
SMILESCCCCCCCCCC(I)C(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F11I/c1-3-4-5-6-7-8-9-10-12(30)11(2)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h11-12H,3-10H2,1-2H3
InChIKeyJDBKHZHDLZKWNG-UHFFFAOYSA-N
MW576.27 g/mol
LogP8.47
Rot. Bonds10

About 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane (PubChem CID 153324130) has the molecular formula C18H24F11I and a molecular weight of 576.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
PubChem CID153324130
Molecular FormulaC18H24F11I
Molecular Weight576.27 g/mol
Exact Mass576.07
IUPAC Name1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane
SMILESCCCCCCCCCC(I)C(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C18H24F11I/c1-3-4-5-6-7-8-9-10-12(30)11(2)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h11-12H,3-10H2,1-2H3
InChIKeyJDBKHZHDLZKWNG-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.27
LogP ≤ 58.47
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

2,3-diiododecane
CID 14475432
6-iodododecane
CID 19090932
7-iodotetradecane
CID 87229248
2-iodooctadecane
CID 138596673
(2R,3S)-3-iodo-2-methoxyundecane
CID 100927296
1-chloro-5-iodopentadecane
CID 122583752
1,1-dichloroheptane
CID 13184
1,3-difluoro-2-methyloctane
CID 134441598
1-iodo-4-methyloctadecane
CID 85217133
(5S,6R)-5-fluoro-6-iododecane
CID 15584091
ethane;heptane;2-methylpropane
CID 167499531
1,1,1,2,2,3-hexafluoro-5-iodo-4-methyl-3-(trifluoromethyl)pentadecane
CID 150274248

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane (CID 153324130) is 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane is CCCCCCCCCC(I)C(C)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane?
The InChIKey is JDBKHZHDLZKWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F11I/c1-3-4-5-6-7-8-9-10-12(30)11(2)13(19)14(20,21)16(24,25)18(28,29)17(26,27)15(13,22)23/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane?
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane has a molecular weight of 576.27 g/mol, XLogP of 8.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(3-iodododecan-2-yl)cyclohexane is sourced from PubChem (CID 153324130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).