2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate

C8H8F6O4 — CID 14535336

IUPAC2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
SMILESCCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O4/c1-2-4(18-6(16)8(12,13)14)3-17-5(15)7(9,10)11/h4H,2-3H2,1H3
InChIKeyCOZSCUJGAIXOEJ-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.98
Rot. Bonds4

About 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate

2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate (PubChem CID 14535336) has the molecular formula C8H8F6O4 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
PubChem CID14535336
Molecular FormulaC8H8F6O4
Molecular Weight282.14 g/mol
Exact Mass282.03
IUPAC Name2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate
SMILESCCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O4/c1-2-4(18-6(16)8(12,13)14)3-17-5(15)7(9,10)11/h4H,2-3H2,1H3
InChIKeyCOZSCUJGAIXOEJ-UHFFFAOYSA-N
XLogP1.98
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-tribromoacetyl)oxybutyl 2,2,2-tribromoacetate
CID 139879427
[(2R)-2-(2,2,2-trifluoroacetyl)oxypropyl] 2,2,2-trifluoroacetate
CID 14535341
pentadecan-3-yl 2,2,2-trifluoroacetate
CID 534406
1-fluoropropyl 2,2,2-trifluoroacetate
CID 151523530
2-(propylamino)butyl 2,2,2-trifluoroacetate
CID 82532524
cyclohexyl 3,4-bis[(2,2,2-trifluoroacetyl)oxy]butanoate
CID 139957460
ethyl 2,3,4,5-tetrakis[(2,2,2-trifluoroacetyl)oxy]pentanoate
CID 91695330
(2,2,2-trifluoroacetyl) 2-ethyl-3,3-dimethylbutanoate
CID 174871940
1-hydroxybutan-2-yl 2,2-dimethylpropanoate;2-hydroxybutyl 2,2-dimethylpropanoate
CID 91117919
2-(3-methylbutylamino)butyl 2,2,2-trifluoroacetate
CID 82531905
pentan-3-yl 2,2-dimethylpropanoate
CID 58621886
[(2S)-1-[aminomethyl(methyl)amino]-1-oxobutan-2-yl] 2,2,2-trifluoroacetate
CID 140533196

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate (CID 14535336) is 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate is CCC(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate?
The InChIKey is COZSCUJGAIXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O4/c1-2-4(18-6(16)8(12,13)14)3-17-5(15)7(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate?
2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate has a molecular weight of 282.14 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroacetyl)oxybutyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 14535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).