1,1,1-trifluoropentane;zinc;hydroiodide

C5H9F3IZn- — CID 89499230

IUPAC1,1,1-trifluoropentane;zinc;hydroiodide
SMILESI.[CH2-]CCCC(F)(F)F.[Zn]
InChIInChI=1S/C5H8F3.HI.Zn/c1-2-3-4-5(6,7)8;;/h1-4H2;1H;/q-1;;
InChIKeyQEEFIWNESPZIAA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.17
Rot. Bonds2

About 1,1,1-trifluoropentane;zinc;hydroiodide

1,1,1-trifluoropentane;zinc;hydroiodide (PubChem CID 89499230) has the molecular formula C5H9F3IZn- and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,1,1-trifluoropentane;zinc;hydroiodide.

Molecular Properties

Compound Name1,1,1-trifluoropentane;zinc;hydroiodide
PubChem CID89499230
Molecular FormulaC5H9F3IZn-
Molecular Weight318.42 g/mol
Exact Mass316.90
IUPAC Name1,1,1-trifluoropentane;zinc;hydroiodide
SMILESI.[CH2-]CCCC(F)(F)F.[Zn]
InChIInChI=1S/C5H8F3.HI.Zn/c1-2-3-4-5(6,7)8;;/h1-4H2;1H;/q-1;;
InChIKeyQEEFIWNESPZIAA-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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iron(3+);1,1,1-trifluoropentane
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1,1,1,10-tetrafluorodecane
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1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
1,1,6,6,6-pentafluorohexan-1-ol
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Dimethyl(4,4,4-trifluorobutyl)silane
CID 23572252
1,1,1-trifluorohexadecane
CID 15685316
6-chloro-1,1,1-trifluorohexane
CID 54556371
10,10,10-trifluorodecan-1-amine
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5-bromo-1,1,1-trifluoropentane chloride
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropentane;zinc;hydroiodide?
The IUPAC name of 1,1,1-trifluoropentane;zinc;hydroiodide (CID 89499230) is 1,1,1-trifluoropentane;zinc;hydroiodide.
What is the SMILES notation for 1,1,1-trifluoropentane;zinc;hydroiodide?
The canonical SMILES for 1,1,1-trifluoropentane;zinc;hydroiodide is I.[CH2-]CCCC(F)(F)F.[Zn].
What is the InChIKey of 1,1,1-trifluoropentane;zinc;hydroiodide?
The InChIKey is QEEFIWNESPZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3.HI.Zn/c1-2-3-4-5(6,7)8;;/h1-4H2;1H;/q-1;;.
What are the key properties of 1,1,1-trifluoropentane;zinc;hydroiodide?
1,1,1-trifluoropentane;zinc;hydroiodide has a molecular weight of 318.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropentane;zinc;hydroiodide is sourced from PubChem (CID 89499230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).