(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane

C9H6F13I — CID 97290812

IUPAC(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
SMILESC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3/t3-/m1/s1
InChIKeyREPFTMOJFHVIBT-GSVOUGTGSA-N
MW488.03 g/mol
LogP5.94
Rot. Bonds6

About (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane

(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane (PubChem CID 97290812) has the molecular formula C9H6F13I and a molecular weight of 488.03 g/mol. Its IUPAC name is (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane.

Molecular Properties

Compound Name(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
PubChem CID97290812
Molecular FormulaC9H6F13I
Molecular Weight488.03 g/mol
Exact Mass487.93
IUPAC Name(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
SMILESC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3/t3-/m1/s1
InChIKeyREPFTMOJFHVIBT-GSVOUGTGSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
(4R)-1,1,1,2,2-pentafluoro-4-iodopentane
CID 97109313
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-3-iodododecan-2-ol
CID 134975406
1,1,1,2,2,3,3,4,4,5,5,6,6,8-tetradecafluoro-8-iodooctane
CID 88505098
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
1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,14-hexacosafluoro-7-iodotetradecane
CID 138396298
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-methyldecane
CID 58901254
1,1,1,2,2,3,3,4,4,10,10,11,11,12,12,13,13,13-octadecafluoro-6,8-diiodotridecane
CID 138396289
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
(2S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
CID 97290955
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

Frequently Asked Questions

What is the IUPAC name of (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane?
The IUPAC name of (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane (CID 97290812) is (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane.
What is the SMILES notation for (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane?
The canonical SMILES for (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane is C[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane?
The InChIKey is REPFTMOJFHVIBT-GSVOUGTGSA-N. The full InChI is InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3/t3-/m1/s1.
What are the key properties of (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane?
(8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane has a molecular weight of 488.03 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane is sourced from PubChem (CID 97290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).