calcium;benzene;hydride;pentahydrofluoride

C6H13CaF5 — CID 174489933

IUPACcalcium;benzene;hydride;pentahydrofluoride
SMILESF.F.F.F.F.[Ca+2].[H-].[H-].c1ccccc1
InChIInChI=1S/C6H6.Ca.5FH.2H/c1-2-4-6-5-3-1;;;;;;;;/h1-6H;;5*1H;;/q;+2;;;;;;2*-1
InChIKeyKLNOZLJWKOARMM-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.29
Rot. Bonds

About calcium;benzene;hydride;pentahydrofluoride

calcium;benzene;hydride;pentahydrofluoride (PubChem CID 174489933) has the molecular formula C6H13CaF5 and a molecular weight of 220.24 g/mol. Its IUPAC name is calcium;benzene;hydride;pentahydrofluoride.

Molecular Properties

Compound Namecalcium;benzene;hydride;pentahydrofluoride
PubChem CID174489933
Molecular FormulaC6H13CaF5
Molecular Weight220.24 g/mol
Exact Mass220.06
IUPAC Namecalcium;benzene;hydride;pentahydrofluoride
SMILESF.F.F.F.F.[Ca+2].[H-].[H-].c1ccccc1
InChIInChI=1S/C6H6.Ca.5FH.2H/c1-2-4-6-5-3-1;;;;;;;;/h1-6H;;5*1H;;/q;+2;;;;;;2*-1
InChIKeyKLNOZLJWKOARMM-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of calcium;benzene;hydride;pentahydrofluoride?
The IUPAC name of calcium;benzene;hydride;pentahydrofluoride (CID 174489933) is calcium;benzene;hydride;pentahydrofluoride.
What is the SMILES notation for calcium;benzene;hydride;pentahydrofluoride?
The canonical SMILES for calcium;benzene;hydride;pentahydrofluoride is F.F.F.F.F.[Ca+2].[H-].[H-].c1ccccc1.
What is the InChIKey of calcium;benzene;hydride;pentahydrofluoride?
The InChIKey is KLNOZLJWKOARMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Ca.5FH.2H/c1-2-4-6-5-3-1;;;;;;;;/h1-6H;;5*1H;;/q;+2;;;;;;2*-1.
What are the key properties of calcium;benzene;hydride;pentahydrofluoride?
calcium;benzene;hydride;pentahydrofluoride has a molecular weight of 220.24 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;benzene;hydride;pentahydrofluoride is sourced from PubChem (CID 174489933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).