2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane

C11Cl2F20I4 — CID 19900919

IUPAC2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
SMILESFC(F)(I)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)I.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6F12I2.C5Cl2F8I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20;6-1(8,4(12,13)16)3(10,11)2(7,9)5(14,15)17
InChIKeyKDFZFRMEHQTYFT-UHFFFAOYSA-N
MW1090.60 g/mol
LogP11.07
Rot. Bonds9

About 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane

2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane (PubChem CID 19900919) has the molecular formula C11Cl2F20I4 and a molecular weight of 1090.60 g/mol. Its IUPAC name is 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane.

Molecular Properties

Compound Name2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
PubChem CID19900919
Molecular FormulaC11Cl2F20I4
Molecular Weight1090.60 g/mol
Exact Mass1089.52
IUPAC Name2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
SMILESFC(F)(I)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)I.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C6F12I2.C5Cl2F8I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20;6-1(8,4(12,13)16)3(10,11)2(7,9)5(14,15)17
InChIKeyKDFZFRMEHQTYFT-UHFFFAOYSA-N
XLogP11.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.60
LogP ≤ 511.07
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'}

Analyze 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane with MolForge

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Related Compounds

1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
CID 2736614
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
CID 89413596
1-chloro-1,1,2,2,3,3,4,4-octafluoro-4-iodobutane
CID 11046660
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
guanidine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-iododecane
CID 174886297
2,4,6-tris(1,1,2,2,3,3,4,4,5,5-decafluoro-5-iodopentyl)-1,3,5-triazine
CID 10931235
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;hexanedinitrile
CID 139180286
(1S)-1-chloro-1,2,2,2-tetrafluoro-1-iodoethane
CID 95169758
2-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 13231611
(7E,15E)-1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22-tetracosafluoro-1,22-diiododocosa-7,15-diene
CID 161473433
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
formyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-9-iodononanoate
CID 166769785

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane?
The IUPAC name of 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane (CID 19900919) is 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane.
What is the SMILES notation for 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane?
The canonical SMILES for 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane is FC(F)(I)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)I.FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane?
The InChIKey is KDFZFRMEHQTYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12I2.C5Cl2F8I2/c7-1(8,3(11,12)5(15,16)19)2(9,10)4(13,14)6(17,18)20;6-1(8,4(12,13)16)3(10,11)2(7,9)5(14,15)17.
What are the key properties of 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane?
2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane has a molecular weight of 1090.60 g/mol, XLogP of 11.07, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1,1,2,3,3,4,5,5-octafluoro-1,5-diiodopentane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane is sourced from PubChem (CID 19900919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).