1,1,1,4,4,4-hexafluoro-2,3-diiodobutane

C4H2F6I2 — CID 139684738

IUPAC1,1,1,4,4,4-hexafluoro-2,3-diiodobutane
SMILESFC(F)(F)C(I)C(I)C(F)(F)F
InChIInChI=1S/C4H2F6I2/c5-3(6,7)1(11)2(12)4(8,9)10/h1-2H
InChIKeyIUXQUXFJBPXMLC-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.72
Rot. Bonds1

About 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane

1,1,1,4,4,4-hexafluoro-2,3-diiodobutane (PubChem CID 139684738) has the molecular formula C4H2F6I2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane.

Molecular Properties

Compound Name1,1,1,4,4,4-hexafluoro-2,3-diiodobutane
PubChem CID139684738
Molecular FormulaC4H2F6I2
Molecular Weight417.86 g/mol
Exact Mass417.82
IUPAC Name1,1,1,4,4,4-hexafluoro-2,3-diiodobutane
SMILESFC(F)(F)C(I)C(I)C(F)(F)F
InChIInChI=1S/C4H2F6I2/c5-3(6,7)1(11)2(12)4(8,9)10/h1-2H
InChIKeyIUXQUXFJBPXMLC-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.72
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'}

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Related Compounds

1,1,1-trifluoro-2-iodo-3-methylbutane
CID 147405184
1,1,1-trifluoro-2-iodo-3,4-dimethylpentane
CID 155242181
(2R,3S)-1,1,1,3-tetrafluoro-3-iodo-2-methylpropane
CID 23236245
magnesium;1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane;hydride
CID 175390788
(2R)-3,3,3-trifluoro-2-iodopropan-1-ol
CID 126560574
(2S)-1,1,1-trifluoro-3-iodo-2,4-dimethylpentane
CID 155394559
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
4-chloro-2-(chloromethyl)-1,1,1-trifluoro-3-iodobutane
CID 21459329
tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);zinc
CID 5231417
1,1,1-trifluoro-3,3-dimethylbutan-2-amine
CID 53414766

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane?
The IUPAC name of 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane (CID 139684738) is 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane.
What is the SMILES notation for 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane?
The canonical SMILES for 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane is FC(F)(F)C(I)C(I)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane?
The InChIKey is IUXQUXFJBPXMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6I2/c5-3(6,7)1(11)2(12)4(8,9)10/h1-2H.
What are the key properties of 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane?
1,1,1,4,4,4-hexafluoro-2,3-diiodobutane has a molecular weight of 417.86 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,4-hexafluoro-2,3-diiodobutane is sourced from PubChem (CID 139684738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).