1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine

C18H10F12I2N2 — CID 139148027

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C12H10N2.C6F12I2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20/h1-10H;/b2-1+;
InChIKeyJGPMSOSORKCLNG-TYYBGVCCSA-N
MW736.08 g/mol
LogP8.23
Rot. Bonds7

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 139148027) has the molecular formula C18H10F12I2N2 and a molecular weight of 736.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID139148027
Molecular FormulaC18H10F12I2N2
Molecular Weight736.08 g/mol
Exact Mass735.87
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C12H10N2.C6F12I2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20/h1-10H;/b2-1+;
InChIKeyJGPMSOSORKCLNG-TYYBGVCCSA-N
XLogP8.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.08
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-[2-[2,4,5-tris(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
CID 86183195
4-(2-phenylethenyl)pyridine;hydrochloride
CID 71352999
4-[(E)-2-(2,3,5,6-tetrafluoro-4-iodophenyl)ethenyl]pyridine
CID 122210950
4-[(1E,3E,5E)-6-pyridin-4-ylhexa-1,3,5-trienyl]pyridine
CID 139077080
4-[(E)-2-pyridin-4-ylethenyl]benzenethiol
CID 142469132
tris[4-[(E)-2-pyridin-4-ylethenyl]phenyl]phosphane
CID 58942141
4-[(E)-2-[4-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethynyl]phenyl]ethenyl]pyridine
CID 101213643
4-[(E)-3,3-dimethylbut-1-enyl]pyridine
CID 59172126
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
4-[(Z)-2-(2-bromophenyl)ethenyl]pyridine;hydrochloride
CID 54611204
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 2736614
3-pyridin-4-yl-N-(2,2,2-trifluoro-1-phenylethyl)prop-2-enamide
CID 103598367

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 139148027) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine is C(=C/c1ccncc1)\c1ccncc1.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is JGPMSOSORKCLNG-TYYBGVCCSA-N. The full InChI is InChI=1S/C12H10N2.C6F12I2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20/h1-10H;/b2-1+;.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine has a molecular weight of 736.08 g/mol, XLogP of 8.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 139148027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).