sodium;phosphoric acid;1,1,1-trifluoroethane

C2H5F3NaO4P — CID 172730635

IUPACsodium;phosphoric acid;1,1,1-trifluoroethane
SMILESO=P(O)(O)O.[CH2-]C(F)(F)F.[Na+]
InChIInChI=1S/C2H2F3.Na.H3O4P/c1-2(3,4)5;;1-5(2,3)4/h1H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyKOZWQQILIMPCPO-UHFFFAOYSA-N
MW204.02 g/mol
LogP-2.54
Rot. Bonds

About sodium;phosphoric acid;1,1,1-trifluoroethane

sodium;phosphoric acid;1,1,1-trifluoroethane (PubChem CID 172730635) has the molecular formula C2H5F3NaO4P and a molecular weight of 204.02 g/mol. Its IUPAC name is sodium;phosphoric acid;1,1,1-trifluoroethane.

Molecular Properties

Compound Namesodium;phosphoric acid;1,1,1-trifluoroethane
PubChem CID172730635
Molecular FormulaC2H5F3NaO4P
Molecular Weight204.02 g/mol
Exact Mass203.98
IUPAC Namesodium;phosphoric acid;1,1,1-trifluoroethane
SMILESO=P(O)(O)O.[CH2-]C(F)(F)F.[Na+]
InChIInChI=1S/C2H2F3.Na.H3O4P/c1-2(3,4)5;;1-5(2,3)4/h1H2;;(H3,1,2,3,4)/q-1;+1;
InChIKeyKOZWQQILIMPCPO-UHFFFAOYSA-N
XLogP-2.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.02
LogP ≤ 5-2.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,2-hexafluoroethane;phosphoric acid
CID 159148142
bromo(trifluoro)methane;phosphoric acid
CID 172736690
hexasodium;phosphoric acid;hexafluoride
CID 173078700
sodium;hydride;phosphoric acid
CID 3084021
sodium;hydride;phosphoric acid
CID 173151585
trisodium;hydride;phosphoric acid
CID 173046731
dipotassium;trisodium;phosphoric acid
CID 175728494
pentasodium;hydride;phosphoric acid
CID 173157264
phosphoric acid;2,2,2-trifluoroacetic acid
CID 87428965
magnesium;ethane;1,1,1,3,3,3-hexafluoropropane;phosphoric acid
CID 158730152
sodium;hydride;phosphoric acid;hexahydrofluoride
CID 173078699
sodium;hydride;λ2-plumbane;phosphoric acid
CID 173229712

Frequently Asked Questions

What is the IUPAC name of sodium;phosphoric acid;1,1,1-trifluoroethane?
The IUPAC name of sodium;phosphoric acid;1,1,1-trifluoroethane (CID 172730635) is sodium;phosphoric acid;1,1,1-trifluoroethane.
What is the SMILES notation for sodium;phosphoric acid;1,1,1-trifluoroethane?
The canonical SMILES for sodium;phosphoric acid;1,1,1-trifluoroethane is O=P(O)(O)O.[CH2-]C(F)(F)F.[Na+].
What is the InChIKey of sodium;phosphoric acid;1,1,1-trifluoroethane?
The InChIKey is KOZWQQILIMPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3.Na.H3O4P/c1-2(3,4)5;;1-5(2,3)4/h1H2;;(H3,1,2,3,4)/q-1;+1;.
What are the key properties of sodium;phosphoric acid;1,1,1-trifluoroethane?
sodium;phosphoric acid;1,1,1-trifluoroethane has a molecular weight of 204.02 g/mol, XLogP of -2.54, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phosphoric acid;1,1,1-trifluoroethane is sourced from PubChem (CID 172730635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).