calcium;carbonic acid;difluoride

CH2CaF2O3 — CID 174333629

IUPACcalcium;carbonic acid;difluoride
SMILESO=C(O)O.[Ca+2].[F-].[F-]
InChIInChI=1S/CH2O3.Ca.2FH/c2-1(3)4;;;/h(H2,2,3,4);;2*1H/q;+2;;/p-2
InChIKeyYERZISRAVHFIHX-UHFFFAOYSA-L
MW140.10 g/mol
LogP-6.15
Rot. Bonds

About calcium;carbonic acid;difluoride

calcium;carbonic acid;difluoride (PubChem CID 174333629) has the molecular formula CH2CaF2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is calcium;carbonic acid;difluoride.

Molecular Properties

Compound Namecalcium;carbonic acid;difluoride
PubChem CID174333629
Molecular FormulaCH2CaF2O3
Molecular Weight140.10 g/mol
Exact Mass139.96
IUPAC Namecalcium;carbonic acid;difluoride
SMILESO=C(O)O.[Ca+2].[F-].[F-]
InChIInChI=1S/CH2O3.Ca.2FH/c2-1(3)4;;;/h(H2,2,3,4);;2*1H/q;+2;;/p-2
InChIKeyYERZISRAVHFIHX-UHFFFAOYSA-L
XLogP-6.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-6.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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calcium;carbonic acid;hydride;dihydrochloride
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calcium;disodium;carbonic acid;hydride
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CID 87090001
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Frequently Asked Questions

What is the IUPAC name of calcium;carbonic acid;difluoride?
The IUPAC name of calcium;carbonic acid;difluoride (CID 174333629) is calcium;carbonic acid;difluoride.
What is the SMILES notation for calcium;carbonic acid;difluoride?
The canonical SMILES for calcium;carbonic acid;difluoride is O=C(O)O.[Ca+2].[F-].[F-].
What is the InChIKey of calcium;carbonic acid;difluoride?
The InChIKey is YERZISRAVHFIHX-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.Ca.2FH/c2-1(3)4;;;/h(H2,2,3,4);;2*1H/q;+2;;/p-2.
What are the key properties of calcium;carbonic acid;difluoride?
calcium;carbonic acid;difluoride has a molecular weight of 140.10 g/mol, XLogP of -6.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;carbonic acid;difluoride is sourced from PubChem (CID 174333629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).