1,1,2,2,3,3,4-heptafluoro-1-iodobutane

C4H2F7I — CID 20749592

IUPAC1,1,2,2,3,3,4-heptafluoro-1-iodobutane
SMILESFCC(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F7I/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2
InChIKeyBZXSZCQWHKTWDT-UHFFFAOYSA-N
MW309.95 g/mol
LogP3.25
Rot. Bonds3

About 1,1,2,2,3,3,4-heptafluoro-1-iodobutane

1,1,2,2,3,3,4-heptafluoro-1-iodobutane (PubChem CID 20749592) has the molecular formula C4H2F7I and a molecular weight of 309.95 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-1-iodobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-1-iodobutane
PubChem CID20749592
Molecular FormulaC4H2F7I
Molecular Weight309.95 g/mol
Exact Mass309.91
IUPAC Name1,1,2,2,3,3,4-heptafluoro-1-iodobutane
SMILESFCC(F)(F)C(F)(F)C(F)(F)I
InChIInChI=1S/C4H2F7I/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2
InChIKeyBZXSZCQWHKTWDT-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.95
LogP ≤ 53.25
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

Perfluorobutyl iodide
CID 67917
Propane, 1,1,1,2,2-pentafluoro-3-iodo-
CID 67721
Heptafluorobutyl iodide
CID 67806
1,1,1,2,2-Pentafluoro-4-iodobutane
CID 110092
2-Iodoperfluorobutane
CID 2775165
1,1,2,2-Tetrafluoro-3-iodopropane
CID 542861
Alkyl iodides, C4-20, gamma-omega-perfluoro
CID 109697
1,1,2,2-Tetrafluoroethyl iodide
CID 136180
1,1,1-Trifluoro-4-iodobutane
CID 2775189
4H-Octafluoro-1-iodobutane
CID 2775868
2-Iodo-1,1,1,3,3,3-hexafluoropropane
CID 14292223
Butane, 1,1,2,2-tetrafluoro-1,4-diiodo-
CID 69788

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4-heptafluoro-1-iodobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-1-iodobutane (CID 20749592) is 1,1,2,2,3,3,4-heptafluoro-1-iodobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-1-iodobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-1-iodobutane is FCC(F)(F)C(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-1-iodobutane?
The InChIKey is BZXSZCQWHKTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7I/c5-1-2(6,7)3(8,9)4(10,11)12/h1H2.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-1-iodobutane?
1,1,2,2,3,3,4-heptafluoro-1-iodobutane has a molecular weight of 309.95 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-1-iodobutane is sourced from PubChem (CID 20749592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).