calcium;hydride;tetrafluoromethane;hydrate

CH4CaF4O — CID 174852147

IUPACcalcium;hydride;tetrafluoromethane;hydrate
SMILESFC(F)(F)F.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CF4.Ca.H2O.2H/c2-1(3,4)5;;;;/h;;1H2;;/q;+2;;2*-1
InChIKeyIOXQJQHPQXLPIP-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.50
Rot. Bonds

About calcium;hydride;tetrafluoromethane;hydrate

calcium;hydride;tetrafluoromethane;hydrate (PubChem CID 174852147) has the molecular formula CH4CaF4O and a molecular weight of 148.11 g/mol. Its IUPAC name is calcium;hydride;tetrafluoromethane;hydrate.

Molecular Properties

Compound Namecalcium;hydride;tetrafluoromethane;hydrate
PubChem CID174852147
Molecular FormulaCH4CaF4O
Molecular Weight148.11 g/mol
Exact Mass147.98
IUPAC Namecalcium;hydride;tetrafluoromethane;hydrate
SMILESFC(F)(F)F.O.[Ca+2].[H-].[H-]
InChIInChI=1S/CF4.Ca.H2O.2H/c2-1(3,4)5;;;;/h;;1H2;;/q;+2;;2*-1
InChIKeyIOXQJQHPQXLPIP-UHFFFAOYSA-N
XLogP0.50
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze calcium;hydride;tetrafluoromethane;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

argon;tetrafluoromethane;hydrate
CID 160629038
CID 157306747
CID 157306747
CID 87149172
CID 87149172
iron;tetrafluoromethane
CID 87267345
calcium;hydride;1,1,1-trifluoroethane
CID 174891674
manganese;bis(oxygen(2-));tetrafluoromethane
CID 159554496
aluminum;manganese(2+);bis(oxygen(2-));tetrafluoromethane
CID 157411189
calcium;hydride;titanium;hydrate
CID 173091330
calcium;hydride;λ2-plumbane;hydrate
CID 173353363
calcium;alumane;hydride;hydrate
CID 173007475
dicalcium;magnesium;hydride;hydrate
CID 174887328
calcium;alumane;hydride;octahydrate
CID 175590260

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;tetrafluoromethane;hydrate?
The IUPAC name of calcium;hydride;tetrafluoromethane;hydrate (CID 174852147) is calcium;hydride;tetrafluoromethane;hydrate.
What is the SMILES notation for calcium;hydride;tetrafluoromethane;hydrate?
The canonical SMILES for calcium;hydride;tetrafluoromethane;hydrate is FC(F)(F)F.O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;tetrafluoromethane;hydrate?
The InChIKey is IOXQJQHPQXLPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/CF4.Ca.H2O.2H/c2-1(3,4)5;;;;/h;;1H2;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;tetrafluoromethane;hydrate?
calcium;hydride;tetrafluoromethane;hydrate has a molecular weight of 148.11 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;tetrafluoromethane;hydrate is sourced from PubChem (CID 174852147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).