oxolan-2-ylmethyl 3,3,3-trifluoropropanoate

C8H11F3O3 — CID 59816201

IUPACoxolan-2-ylmethyl 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OCC1CCCO1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)4-7(12)14-5-6-2-1-3-13-6/h6H,1-5H2
InChIKeyULEINAJQKLPMFK-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.66
Rot. Bonds3

About oxolan-2-ylmethyl 3,3,3-trifluoropropanoate

oxolan-2-ylmethyl 3,3,3-trifluoropropanoate (PubChem CID 59816201) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3,3,3-trifluoropropanoate
PubChem CID59816201
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Nameoxolan-2-ylmethyl 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OCC1CCCO1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)4-7(12)14-5-6-2-1-3-13-6/h6H,1-5H2
InChIKeyULEINAJQKLPMFK-UHFFFAOYSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3,3,3-trifluoropropanoate?
The IUPAC name of oxolan-2-ylmethyl 3,3,3-trifluoropropanoate (CID 59816201) is oxolan-2-ylmethyl 3,3,3-trifluoropropanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3,3,3-trifluoropropanoate?
The canonical SMILES for oxolan-2-ylmethyl 3,3,3-trifluoropropanoate is O=C(CC(F)(F)F)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3,3,3-trifluoropropanoate?
The InChIKey is ULEINAJQKLPMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)4-7(12)14-5-6-2-1-3-13-6/h6H,1-5H2.
What are the key properties of oxolan-2-ylmethyl 3,3,3-trifluoropropanoate?
oxolan-2-ylmethyl 3,3,3-trifluoropropanoate has a molecular weight of 212.17 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3,3,3-trifluoropropanoate is sourced from PubChem (CID 59816201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).