iodo(3,3,3-trifluoropropyl)mercury

C3H4F3HgI — CID 71362973

IUPACiodo(3,3,3-trifluoropropyl)mercury
SMILESFC(F)(F)CC[Hg]I
InChIInChI=1S/C3H4F3.Hg.HI/c1-2-3(4,5)6;;/h1-2H2;;1H/q;+1;/p-1
InChIKeyHUTLILBZLAIGQZ-UHFFFAOYSA-M
MW424.55 g/mol
LogP2.79
Rot. Bonds2

About iodo(3,3,3-trifluoropropyl)mercury

iodo(3,3,3-trifluoropropyl)mercury (PubChem CID 71362973) has the molecular formula C3H4F3HgI and a molecular weight of 424.55 g/mol. Its IUPAC name is iodo(3,3,3-trifluoropropyl)mercury.

Molecular Properties

Compound Nameiodo(3,3,3-trifluoropropyl)mercury
PubChem CID71362973
Molecular FormulaC3H4F3HgI
Molecular Weight424.55 g/mol
Exact Mass425.90
IUPAC Nameiodo(3,3,3-trifluoropropyl)mercury
SMILESFC(F)(F)CC[Hg]I
InChIInChI=1S/C3H4F3.Hg.HI/c1-2-3(4,5)6;;/h1-2H2;;1H/q;+1;/p-1
InChIKeyHUTLILBZLAIGQZ-UHFFFAOYSA-M
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo(3,3,3-trifluoropropyl)mercury?
The IUPAC name of iodo(3,3,3-trifluoropropyl)mercury (CID 71362973) is iodo(3,3,3-trifluoropropyl)mercury.
What is the SMILES notation for iodo(3,3,3-trifluoropropyl)mercury?
The canonical SMILES for iodo(3,3,3-trifluoropropyl)mercury is FC(F)(F)CC[Hg]I.
What is the InChIKey of iodo(3,3,3-trifluoropropyl)mercury?
The InChIKey is HUTLILBZLAIGQZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F3.Hg.HI/c1-2-3(4,5)6;;/h1-2H2;;1H/q;+1;/p-1.
What are the key properties of iodo(3,3,3-trifluoropropyl)mercury?
iodo(3,3,3-trifluoropropyl)mercury has a molecular weight of 424.55 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(3,3,3-trifluoropropyl)mercury is sourced from PubChem (CID 71362973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).