calcium;hydride;trifluoromethanesulfonamide

CH4CaF3NO2S — CID 175005756

IUPACcalcium;hydride;trifluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2F3NO2S.Ca.2H/c2-1(3,4)8(5,6)7;;;/h(H2,5,6,7);;;/q;+2;2*-1
InChIKeyXHHGMFKBYVXQCZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.36
Rot. Bonds

About calcium;hydride;trifluoromethanesulfonamide

calcium;hydride;trifluoromethanesulfonamide (PubChem CID 175005756) has the molecular formula CH4CaF3NO2S and a molecular weight of 191.19 g/mol. Its IUPAC name is calcium;hydride;trifluoromethanesulfonamide.

Molecular Properties

Compound Namecalcium;hydride;trifluoromethanesulfonamide
PubChem CID175005756
Molecular FormulaCH4CaF3NO2S
Molecular Weight191.19 g/mol
Exact Mass190.95
IUPAC Namecalcium;hydride;trifluoromethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)F.[Ca+2].[H-].[H-]
InChIInChI=1S/CH2F3NO2S.Ca.2H/c2-1(3,4)8(5,6)7;;;/h(H2,5,6,7);;;/q;+2;2*-1
InChIKeyXHHGMFKBYVXQCZ-UHFFFAOYSA-N
XLogP-0.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 171927833
indigane;trifluoromethanesulfonamide
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CID 87103721
CID 87784182
CID 87784182
acetonitrile;cobalt;bis(trifluoromethanesulfonamide)
CID 175334387
calcium;magnesium;hydride;sulfamic acid
CID 175059340
butane-1-sulfonamide;trifluoromethanesulfonamide
CID 87836175
trifluoromethanesulfonamide;trimethyl(propyl)azanium
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lithium;hydride;sulfamoyl fluoride
CID 173134641
CID 173133738
CID 173133738
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;trifluoromethanesulfonamide?
The IUPAC name of calcium;hydride;trifluoromethanesulfonamide (CID 175005756) is calcium;hydride;trifluoromethanesulfonamide.
What is the SMILES notation for calcium;hydride;trifluoromethanesulfonamide?
The canonical SMILES for calcium;hydride;trifluoromethanesulfonamide is NS(=O)(=O)C(F)(F)F.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;trifluoromethanesulfonamide?
The InChIKey is XHHGMFKBYVXQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2F3NO2S.Ca.2H/c2-1(3,4)8(5,6)7;;;/h(H2,5,6,7);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;trifluoromethanesulfonamide?
calcium;hydride;trifluoromethanesulfonamide has a molecular weight of 191.19 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;trifluoromethanesulfonamide is sourced from PubChem (CID 175005756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).