propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate

C10H10F6O6 — CID 91691573

IUPACpropan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate
SMILESCC(C)OC(=O)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C10H10F6O6/c1-4(2)21-6(17)5(22-8(19)10(14,15)16)3-20-7(18)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyGPPQIHQTOCSJQX-UHFFFAOYSA-N
MW340.17 g/mol
LogP1.52
Rot. Bonds5

About propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate

propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate (PubChem CID 91691573) has the molecular formula C10H10F6O6 and a molecular weight of 340.17 g/mol. Its IUPAC name is propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate
PubChem CID91691573
Molecular FormulaC10H10F6O6
Molecular Weight340.17 g/mol
Exact Mass340.04
IUPAC Namepropan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate
SMILESCC(C)OC(=O)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F
InChIInChI=1S/C10H10F6O6/c1-4(2)21-6(17)5(22-8(19)10(14,15)16)3-20-7(18)9(11,12)13/h4-5H,3H2,1-2H3
InChIKeyGPPQIHQTOCSJQX-UHFFFAOYSA-N
XLogP1.52
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate?
The IUPAC name of propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate (CID 91691573) is propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate.
What is the SMILES notation for propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate?
The canonical SMILES for propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate is CC(C)OC(=O)C(COC(=O)C(F)(F)F)OC(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate?
The InChIKey is GPPQIHQTOCSJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O6/c1-4(2)21-6(17)5(22-8(19)10(14,15)16)3-20-7(18)9(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate?
propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate has a molecular weight of 340.17 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2,3-bis[(2,2,2-trifluoroacetyl)oxy]propanoate is sourced from PubChem (CID 91691573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).