1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane

C10H12F9I — CID 2775062

IUPAC1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
SMILESCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3
InChIKeyYOEXYNDIPQDOLJ-UHFFFAOYSA-N
MW430.09 g/mol
LogP5.84
Rot. Bonds6

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

1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane (PubChem CID 2775062) has the molecular formula C10H12F9I and a molecular weight of 430.09 g/mol. Its IUPAC name is 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
PubChem CID2775062
Molecular FormulaC10H12F9I
Molecular Weight430.09 g/mol
Exact Mass429.98
IUPAC Name1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
SMILESCCCCC(I)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3
InChIKeyYOEXYNDIPQDOLJ-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.09
LogP ≤ 55.84
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

1,1,1,2,3,3,4,4,5,5,6,6-Dodecafluoro-8-iodo-2-(trifluoromethyl)octane
CID 2776236
(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)cyclohexane
CID 20029276
1,1,1,2,2,3,3-Heptafluoro-6-iodo-4,4-bis(trifluoromethyl)decane
CID 14270442
2-(Perfluoro-7-methyloctyl)ethyl iodide
CID 2776209
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-12-iodo-2-(trifluoromethyl)dodecane
CID 2776214
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)octane
CID 44717276
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)nonane
CID 53413232
1,1,1,2,7,7,7-Heptafluoro-6-iodo-2,4-bis(trifluoromethyl)heptane
CID 58915592
1,1,1,2,2,3,3,4,4-Nonafluoro-6-iodo-7,7-dimethyloctane
CID 138396281
1-Iodo-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)cyclohexane
CID 11071480
5-Ethyl-1,1,1,2,2,3,3-heptafluoro-5-iodononane
CID 13680166
1,1,1,2-Tetrafluoro-4-iodo-2-(trifluoromethyl)decane
CID 14417679

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane (CID 2775062) is 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane is CCCCC(I)CC(F)(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane?
The InChIKey is YOEXYNDIPQDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3.
What are the key properties of 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane?
1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane has a molecular weight of 430.09 g/mol, XLogP of 5.84, 6 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-hexafluoro-5-iodo-3-(trifluoromethyl)nonane is sourced from PubChem (CID 2775062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).