oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate

C14H15F3O3 — CID 15997446

IUPACoxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)OCC1CCCO1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)11-4-1-3-10(7-11)8-13(18)20-9-12-5-2-6-19-12/h1,3-4,7,12H,2,5-6,8-9H2
InChIKeyPKNSJINBBQNHAH-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.97
Rot. Bonds4

About oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate

oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate (PubChem CID 15997446) has the molecular formula C14H15F3O3 and a molecular weight of 288.26 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate
PubChem CID15997446
Molecular FormulaC14H15F3O3
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Nameoxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate
SMILESO=C(Cc1cccc(C(F)(F)F)c1)OCC1CCCO1
InChIInChI=1S/C14H15F3O3/c15-14(16,17)11-4-1-3-10(7-11)8-13(18)20-9-12-5-2-6-19-12/h1,3-4,7,12H,2,5-6,8-9H2
InChIKeyPKNSJINBBQNHAH-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.97
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-[3-(trifluoromethyl)phenyl]acetate?
The IUPAC name of oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate (CID 15997446) is oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate is O=C(Cc1cccc(C(F)(F)F)c1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The InChIKey is PKNSJINBBQNHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O3/c15-14(16,17)11-4-1-3-10(7-11)8-13(18)20-9-12-5-2-6-19-12/h1,3-4,7,12H,2,5-6,8-9H2.
What are the key properties of oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate?
oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate has a molecular weight of 288.26 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-[3-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 15997446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).