oxolan-2-ylmethyl 2,2,2-trifluoroacetate

C7H9F3O3 — CID 551258

IUPACoxolan-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h5H,1-4H2
InChIKeyGOKZENBYBLZEGU-UHFFFAOYSA-N
MW198.14 g/mol
LogP1.27
Rot. Bonds2

About oxolan-2-ylmethyl 2,2,2-trifluoroacetate

oxolan-2-ylmethyl 2,2,2-trifluoroacetate (PubChem CID 551258) has the molecular formula C7H9F3O3 and a molecular weight of 198.14 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2,2,2-trifluoroacetate
PubChem CID551258
Molecular FormulaC7H9F3O3
Molecular Weight198.14 g/mol
Exact Mass198.05
IUPAC Nameoxolan-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h5H,1-4H2
InChIKeyGOKZENBYBLZEGU-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.14
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2,2,2-trifluoroacetate?
The IUPAC name of oxolan-2-ylmethyl 2,2,2-trifluoroacetate (CID 551258) is oxolan-2-ylmethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for oxolan-2-ylmethyl 2,2,2-trifluoroacetate?
The canonical SMILES for oxolan-2-ylmethyl 2,2,2-trifluoroacetate is O=C(OCC1CCCO1)C(F)(F)F.
What is the InChIKey of oxolan-2-ylmethyl 2,2,2-trifluoroacetate?
The InChIKey is GOKZENBYBLZEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O3/c8-7(9,10)6(11)13-4-5-2-1-3-12-5/h5H,1-4H2.
What are the key properties of oxolan-2-ylmethyl 2,2,2-trifluoroacetate?
oxolan-2-ylmethyl 2,2,2-trifluoroacetate has a molecular weight of 198.14 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 551258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).