sodium trifluoromethanolate

CF3NaO — CID 23669108

IUPACsodium trifluoromethanolate
SMILES[Na+].[O-]C(F)(F)F
InChIInChI=1S/CF3O.Na/c2-1(3,4)5;/q-1;+1
InChIKeyIUAVXIJYHVNRFH-UHFFFAOYSA-N
MW107.99 g/mol
LogP-3.13
Rot. Bonds

About sodium trifluoromethanolate

sodium trifluoromethanolate (PubChem CID 23669108) has the molecular formula CF3NaO and a molecular weight of 107.99 g/mol. Its IUPAC name is sodium trifluoromethanolate.

Molecular Properties

Compound Namesodium trifluoromethanolate
PubChem CID23669108
Molecular FormulaCF3NaO
Molecular Weight107.99 g/mol
Exact Mass107.98
IUPAC Namesodium trifluoromethanolate
SMILES[Na+].[O-]C(F)(F)F
InChIInChI=1S/CF3O.Na/c2-1(3,4)5;/q-1;+1
InChIKeyIUAVXIJYHVNRFH-UHFFFAOYSA-N
XLogP-3.13
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.99
LogP ≤ 5-3.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

lithium trifluoromethanolate
CID 20660966
disodium;1,1,2,2,3,3,4,4-octafluorobutane-1,4-diolate
CID 170558309
lithium;boric acid;trifluoromethanolate
CID 159254971
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
trifluoromethanolate;tris(dimethylamino)sulfanium
CID 22448444
potassium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olate
CID 23686533
lithium 1,1,1,2,3,3,3-heptafluoropropan-2-olate
CID 88813201
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
CID 23682889
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
CID 173155428
sodium 2,2,2-trifluoroacetate
CID 517019
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528

Frequently Asked Questions

What is the IUPAC name of sodium trifluoromethanolate?
The IUPAC name of sodium trifluoromethanolate (CID 23669108) is sodium trifluoromethanolate.
What is the SMILES notation for sodium trifluoromethanolate?
The canonical SMILES for sodium trifluoromethanolate is [Na+].[O-]C(F)(F)F.
What is the InChIKey of sodium trifluoromethanolate?
The InChIKey is IUAVXIJYHVNRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/CF3O.Na/c2-1(3,4)5;/q-1;+1.
What are the key properties of sodium trifluoromethanolate?
sodium trifluoromethanolate has a molecular weight of 107.99 g/mol, XLogP of -3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium trifluoromethanolate is sourced from PubChem (CID 23669108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).