calcium;hydride;1,1,1-trifluoroethane

C2H5CaF3 — CID 174891674

IUPACcalcium;hydride;1,1,1-trifluoroethane
SMILESCC(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H3F3.Ca.2H/c1-2(3,4)5;;;/h1H3;;;/q;+2;2*-1
InChIKeyQIDHTZXISXEELY-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.41
Rot. Bonds

About calcium;hydride;1,1,1-trifluoroethane

calcium;hydride;1,1,1-trifluoroethane (PubChem CID 174891674) has the molecular formula C2H5CaF3 and a molecular weight of 126.13 g/mol. Its IUPAC name is calcium;hydride;1,1,1-trifluoroethane.

Molecular Properties

Compound Namecalcium;hydride;1,1,1-trifluoroethane
PubChem CID174891674
Molecular FormulaC2H5CaF3
Molecular Weight126.13 g/mol
Exact Mass126.00
IUPAC Namecalcium;hydride;1,1,1-trifluoroethane
SMILESCC(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H3F3.Ca.2H/c1-2(3,4)5;;;/h1H3;;;/q;+2;2*-1
InChIKeyQIDHTZXISXEELY-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
1,1,1-trifluoroethane trichloride
CID 159910186
ethene;1,1,1-trifluoroethane
CID 175131333
2,2-difluoropropane
CID 160894634
benzene;1,1,1-trifluoroethane
CID 91299000
calcium;hydride;tetrafluoromethane;hydrate
CID 174852147
2,2-difluoropropane;ethane
CID 144524394
2,2-dimethylpropane;ethane;2-fluoro-2-methylpropane
CID 142473666
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419
benzene;ethane;methanamine;1,1,1-trifluoroethane
CID 91454507

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;1,1,1-trifluoroethane?
The IUPAC name of calcium;hydride;1,1,1-trifluoroethane (CID 174891674) is calcium;hydride;1,1,1-trifluoroethane.
What is the SMILES notation for calcium;hydride;1,1,1-trifluoroethane?
The canonical SMILES for calcium;hydride;1,1,1-trifluoroethane is CC(F)(F)F.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;1,1,1-trifluoroethane?
The InChIKey is QIDHTZXISXEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3.Ca.2H/c1-2(3,4)5;;;/h1H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;1,1,1-trifluoroethane?
calcium;hydride;1,1,1-trifluoroethane has a molecular weight of 126.13 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;1,1,1-trifluoroethane is sourced from PubChem (CID 174891674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).