tripropoxymethyl 2,2,2-trifluoroacetate

C12H21F3O5 — CID 87157262

IUPACtripropoxymethyl 2,2,2-trifluoroacetate
SMILESCCCOC(OCCC)(OCCC)OC(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O5/c1-4-7-17-12(18-8-5-2,19-9-6-3)20-10(16)11(13,14)15/h4-9H2,1-3H3
InChIKeyGDSNNZMVEYEETM-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.98
Rot. Bonds10

About tripropoxymethyl 2,2,2-trifluoroacetate

tripropoxymethyl 2,2,2-trifluoroacetate (PubChem CID 87157262) has the molecular formula C12H21F3O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is tripropoxymethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametripropoxymethyl 2,2,2-trifluoroacetate
PubChem CID87157262
Molecular FormulaC12H21F3O5
Molecular Weight302.29 g/mol
Exact Mass302.13
IUPAC Nametripropoxymethyl 2,2,2-trifluoroacetate
SMILESCCCOC(OCCC)(OCCC)OC(=O)C(F)(F)F
InChIInChI=1S/C12H21F3O5/c1-4-7-17-12(18-8-5-2,19-9-6-3)20-10(16)11(13,14)15/h4-9H2,1-3H3
InChIKeyGDSNNZMVEYEETM-UHFFFAOYSA-N
XLogP2.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tripropoxymethyl 2,2,2-trifluoroacetate?
The IUPAC name of tripropoxymethyl 2,2,2-trifluoroacetate (CID 87157262) is tripropoxymethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for tripropoxymethyl 2,2,2-trifluoroacetate?
The canonical SMILES for tripropoxymethyl 2,2,2-trifluoroacetate is CCCOC(OCCC)(OCCC)OC(=O)C(F)(F)F.
What is the InChIKey of tripropoxymethyl 2,2,2-trifluoroacetate?
The InChIKey is GDSNNZMVEYEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O5/c1-4-7-17-12(18-8-5-2,19-9-6-3)20-10(16)11(13,14)15/h4-9H2,1-3H3.
What are the key properties of tripropoxymethyl 2,2,2-trifluoroacetate?
tripropoxymethyl 2,2,2-trifluoroacetate has a molecular weight of 302.29 g/mol, XLogP of 2.98, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxymethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 87157262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).