hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

C10H8F8I2N2 — CID 139180285

IUPAChexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane
SMILESFC(F)(I)C(F)(F)C(F)(F)C(F)(F)I.N#CCCCCC#N
InChIInChI=1S/C6H8N2.C4F8I2/c7-5-3-1-2-4-6-8;5-1(6,3(9,10)13)2(7,8)4(11,12)14/h1-4H2;
InChIKeyJVTPRJXMPYEKPU-UHFFFAOYSA-N
MW561.98 g/mol
LogP5.91
Rot. Bonds6

About hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (PubChem CID 139180285) has the molecular formula C10H8F8I2N2 and a molecular weight of 561.98 g/mol. Its IUPAC name is hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane.

Molecular Properties

Compound Namehexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane
PubChem CID139180285
Molecular FormulaC10H8F8I2N2
Molecular Weight561.98 g/mol
Exact Mass561.86
IUPAC Namehexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane
SMILESFC(F)(I)C(F)(F)C(F)(F)C(F)(F)I.N#CCCCCC#N
InChIInChI=1S/C6H8N2.C4F8I2/c7-5-3-1-2-4-6-8;5-1(6,3(9,10)13)2(7,8)4(11,12)14/h1-4H2;
InChIKeyJVTPRJXMPYEKPU-UHFFFAOYSA-N
XLogP5.91
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.98
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane?
The IUPAC name of hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (CID 139180285) is hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane.
What is the SMILES notation for hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane?
The canonical SMILES for hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane is FC(F)(I)C(F)(F)C(F)(F)C(F)(F)I.N#CCCCCC#N.
What is the InChIKey of hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane?
The InChIKey is JVTPRJXMPYEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C4F8I2/c7-5-3-1-2-4-6-8;5-1(6,3(9,10)13)2(7,8)4(11,12)14/h1-4H2;.
What are the key properties of hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane?
hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane has a molecular weight of 561.98 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedinitrile;1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane is sourced from PubChem (CID 139180285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).