cesium 3,3,3-trifluoropropanoate

C3H2CsF3O2 — CID 171782209

IUPACcesium 3,3,3-trifluoropropanoate
SMILESO=C([O-])CC(F)(F)F.[Cs+]
InChIInChI=1S/C3H3F3O2.Cs/c4-3(5,6)1-2(7)8;/h1H2,(H,7,8);/q;+1/p-1
InChIKeyKRLTUZGWZLGHBA-UHFFFAOYSA-M
MW259.95 g/mol
LogP-3.31
Rot. Bonds1

About cesium 3,3,3-trifluoropropanoate

cesium 3,3,3-trifluoropropanoate (PubChem CID 171782209) has the molecular formula C3H2CsF3O2 and a molecular weight of 259.95 g/mol. Its IUPAC name is cesium 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Namecesium 3,3,3-trifluoropropanoate
PubChem CID171782209
Molecular FormulaC3H2CsF3O2
Molecular Weight259.95 g/mol
Exact Mass259.91
IUPAC Namecesium 3,3,3-trifluoropropanoate
SMILESO=C([O-])CC(F)(F)F.[Cs+]
InChIInChI=1S/C3H3F3O2.Cs/c4-3(5,6)1-2(7)8;/h1H2,(H,7,8);/q;+1/p-1
InChIKeyKRLTUZGWZLGHBA-UHFFFAOYSA-M
XLogP-3.31
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.95
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluorobutanoate;fluoromethane;hydron;methane
CID 159265772
2,2,2-trifluoroacetate acetate
CID 19379527
3-(carboxylatomethyl)-3-hydroxypentanedioate
CID 3381253
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
cesium 2-fluoroacetate
CID 141149492
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019

Frequently Asked Questions

What is the IUPAC name of cesium 3,3,3-trifluoropropanoate?
The IUPAC name of cesium 3,3,3-trifluoropropanoate (CID 171782209) is cesium 3,3,3-trifluoropropanoate.
What is the SMILES notation for cesium 3,3,3-trifluoropropanoate?
The canonical SMILES for cesium 3,3,3-trifluoropropanoate is O=C([O-])CC(F)(F)F.[Cs+].
What is the InChIKey of cesium 3,3,3-trifluoropropanoate?
The InChIKey is KRLTUZGWZLGHBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F3O2.Cs/c4-3(5,6)1-2(7)8;/h1H2,(H,7,8);/q;+1/p-1.
What are the key properties of cesium 3,3,3-trifluoropropanoate?
cesium 3,3,3-trifluoropropanoate has a molecular weight of 259.95 g/mol, XLogP of -3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 3,3,3-trifluoropropanoate is sourced from PubChem (CID 171782209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).