ethanol;hafnium;dibromide

C4H12Br2HfO2-2 — CID 157333248

IUPACethanol;hafnium;dibromide
SMILESCCO.CCO.[Br-].[Br-].[Hf]
InChIInChI=1S/2C2H6O.2BrH.Hf/c2*1-2-3;;;/h2*3H,2H2,1H3;2*1H;/p-2
InChIKeyDKXOARYEFXBTSD-UHFFFAOYSA-L
MW430.44 g/mol
LogP-6.00
Rot. Bonds

About ethanol;hafnium;dibromide

ethanol;hafnium;dibromide (PubChem CID 157333248) has the molecular formula C4H12Br2HfO2-2 and a molecular weight of 430.44 g/mol. Its IUPAC name is ethanol;hafnium;dibromide.

Molecular Properties

Compound Nameethanol;hafnium;dibromide
PubChem CID157333248
Molecular FormulaC4H12Br2HfO2-2
Molecular Weight430.44 g/mol
Exact Mass429.87
IUPAC Nameethanol;hafnium;dibromide
SMILESCCO.CCO.[Br-].[Br-].[Hf]
InChIInChI=1S/2C2H6O.2BrH.Hf/c2*1-2-3;;;/h2*3H,2H2,1H3;2*1H;/p-2
InChIKeyDKXOARYEFXBTSD-UHFFFAOYSA-L
XLogP-6.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 5-6.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;hafnium;dibromide?
The IUPAC name of ethanol;hafnium;dibromide (CID 157333248) is ethanol;hafnium;dibromide.
What is the SMILES notation for ethanol;hafnium;dibromide?
The canonical SMILES for ethanol;hafnium;dibromide is CCO.CCO.[Br-].[Br-].[Hf].
What is the InChIKey of ethanol;hafnium;dibromide?
The InChIKey is DKXOARYEFXBTSD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H6O.2BrH.Hf/c2*1-2-3;;;/h2*3H,2H2,1H3;2*1H;/p-2.
What are the key properties of ethanol;hafnium;dibromide?
ethanol;hafnium;dibromide has a molecular weight of 430.44 g/mol, XLogP of -6.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hafnium;dibromide is sourced from PubChem (CID 157333248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).