trifluorosilyl 2,2,3,3,3-pentafluoropropanoate

C3F8O2Si — CID 23235509

IUPACtrifluorosilyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(O[Si](F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F8O2Si/c4-2(5,3(6,7)8)1(12)13-14(9,10)11
InChIKeyCBGRKELPQRSTCZ-UHFFFAOYSA-N
MW248.10 g/mol
LogP2.07
Rot. Bonds2

About trifluorosilyl 2,2,3,3,3-pentafluoropropanoate

trifluorosilyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 23235509) has the molecular formula C3F8O2Si and a molecular weight of 248.10 g/mol. Its IUPAC name is trifluorosilyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Nametrifluorosilyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID23235509
Molecular FormulaC3F8O2Si
Molecular Weight248.10 g/mol
Exact Mass247.95
IUPAC Nametrifluorosilyl 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(O[Si](F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3F8O2Si/c4-2(5,3(6,7)8)1(12)13-14(9,10)11
InChIKeyCBGRKELPQRSTCZ-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.10
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trifluoromethylsulfonyl 2,2,3,3,3-pentafluoropropanoate
CID 151360600
2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730729
propanoyl 2,2,3,3,3-pentafluoropropanoate
CID 22105194
1-aminoethyl 2,2,3,3,3-pentafluoropropanoate
CID 175224554
heptan-3-yl 2,2,3,3,3-pentafluoropropanoate
CID 91694672
Pentafluoropropanoic acid sodium
CID 71650614
tert-butyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 15613838
[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
CID 131724887
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
CID 91730617
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970
(2,3,5,6-tetrafluoro-4-hydroxyphenyl) 2,2,3,3,3-pentafluoropropanoate
CID 91727548
8-chlorooctyl 2,2,3,3,3-pentafluoropropanoate
CID 91692487

Frequently Asked Questions

What is the IUPAC name of trifluorosilyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of trifluorosilyl 2,2,3,3,3-pentafluoropropanoate (CID 23235509) is trifluorosilyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for trifluorosilyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for trifluorosilyl 2,2,3,3,3-pentafluoropropanoate is O=C(O[Si](F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of trifluorosilyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is CBGRKELPQRSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O2Si/c4-2(5,3(6,7)8)1(12)13-14(9,10)11.
What are the key properties of trifluorosilyl 2,2,3,3,3-pentafluoropropanoate?
trifluorosilyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 248.10 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluorosilyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 23235509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).