calcium;hydride;iron;titanium

H2CaFeTi2 — CID 175106010

IUPACcalcium;hydride;iron;titanium
SMILES[Ca+2].[Fe].[H-].[H-].[Ti].[Ti]
InChIInChI=1S/Ca.Fe.2Ti.2H/q+2;;;;2*-1
InChIKeyALRUJHKNTSTBKQ-UHFFFAOYSA-N
MW193.67 g/mol
LogP-0.16
Rot. Bonds

About calcium;hydride;iron;titanium

calcium;hydride;iron;titanium (PubChem CID 175106010) has the molecular formula H2CaFeTi2 and a molecular weight of 193.67 g/mol. Its IUPAC name is calcium;hydride;iron;titanium.

Molecular Properties

Compound Namecalcium;hydride;iron;titanium
PubChem CID175106010
Molecular FormulaH2CaFeTi2
Molecular Weight193.67 g/mol
Exact Mass193.81
IUPAC Namecalcium;hydride;iron;titanium
SMILES[Ca+2].[Fe].[H-].[H-].[Ti].[Ti]
InChIInChI=1S/Ca.Fe.2Ti.2H/q+2;;;;2*-1
InChIKeyALRUJHKNTSTBKQ-UHFFFAOYSA-N
XLogP-0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;iron;titanium?
The IUPAC name of calcium;hydride;iron;titanium (CID 175106010) is calcium;hydride;iron;titanium.
What is the SMILES notation for calcium;hydride;iron;titanium?
The canonical SMILES for calcium;hydride;iron;titanium is [Ca+2].[Fe].[H-].[H-].[Ti].[Ti].
What is the InChIKey of calcium;hydride;iron;titanium?
The InChIKey is ALRUJHKNTSTBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.Fe.2Ti.2H/q+2;;;;2*-1.
What are the key properties of calcium;hydride;iron;titanium?
calcium;hydride;iron;titanium has a molecular weight of 193.67 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;iron;titanium is sourced from PubChem (CID 175106010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).