calcium;oxoalumane;titanium;difluoride

HAlCaF2OTi — CID 174834379

IUPACcalcium;oxoalumane;titanium;difluoride
SMILESO=[AlH].[Ca+2].[F-].[F-].[Ti]
InChIInChI=1S/Al.Ca.2FH.O.Ti.H/h;;2*1H;;;/q;+2;;;;;/p-2
InChIKeyUQRDYVGFGOOOHM-UHFFFAOYSA-L
MW169.93 g/mol
LogP-7.14
Rot. Bonds

About calcium;oxoalumane;titanium;difluoride

calcium;oxoalumane;titanium;difluoride (PubChem CID 174834379) has the molecular formula HAlCaF2OTi and a molecular weight of 169.93 g/mol. Its IUPAC name is calcium;oxoalumane;titanium;difluoride.

Molecular Properties

Compound Namecalcium;oxoalumane;titanium;difluoride
PubChem CID174834379
Molecular FormulaHAlCaF2OTi
Molecular Weight169.93 g/mol
Exact Mass169.89
IUPAC Namecalcium;oxoalumane;titanium;difluoride
SMILESO=[AlH].[Ca+2].[F-].[F-].[Ti]
InChIInChI=1S/Al.Ca.2FH.O.Ti.H/h;;2*1H;;;/q;+2;;;;;/p-2
InChIKeyUQRDYVGFGOOOHM-UHFFFAOYSA-L
XLogP-7.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.93
LogP ≤ 5-7.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of calcium;oxoalumane;titanium;difluoride?
The IUPAC name of calcium;oxoalumane;titanium;difluoride (CID 174834379) is calcium;oxoalumane;titanium;difluoride.
What is the SMILES notation for calcium;oxoalumane;titanium;difluoride?
The canonical SMILES for calcium;oxoalumane;titanium;difluoride is O=[AlH].[Ca+2].[F-].[F-].[Ti].
What is the InChIKey of calcium;oxoalumane;titanium;difluoride?
The InChIKey is UQRDYVGFGOOOHM-UHFFFAOYSA-L. The full InChI is InChI=1S/Al.Ca.2FH.O.Ti.H/h;;2*1H;;;/q;+2;;;;;/p-2.
What are the key properties of calcium;oxoalumane;titanium;difluoride?
calcium;oxoalumane;titanium;difluoride has a molecular weight of 169.93 g/mol, XLogP of -7.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxoalumane;titanium;difluoride is sourced from PubChem (CID 174834379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).