oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

C16H13F3O4 — CID 86897204

IUPACoxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESO=C(OC1CCOC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H13F3O4/c17-16(18,19)11-3-1-2-10(8-11)13-4-5-14(23-13)15(20)22-12-6-7-21-9-12/h1-5,8,12H,6-7,9H2
InChIKeyROXKFWGIVGFKLX-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.91
Rot. Bonds3

About oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (PubChem CID 86897204) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
PubChem CID86897204
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Nameoxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESO=C(OC1CCOC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H13F3O4/c17-16(18,19)11-3-1-2-10(8-11)13-4-5-14(23-13)15(20)22-12-6-7-21-9-12/h1-5,8,12H,6-7,9H2
InChIKeyROXKFWGIVGFKLX-UHFFFAOYSA-N
XLogP3.91
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2661393
(1-morpholin-4-yl-1-oxopropan-2-yl) 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42893729
[3-(trifluoromethyl)phenyl]methyl 2-[(3S)-oxolan-3-yl]oxyacetate
CID 166323892
oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate
CID 102558626
[(3R)-oxolan-3-yl] 2-nitro-4-(trifluoromethyl)benzoate
CID 96519556
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 8942658
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 26918170
ethyl 1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-4-carboxylate
CID 35512333
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2663475
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755225
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755156
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The IUPAC name of oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (CID 86897204) is oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.
What is the SMILES notation for oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The canonical SMILES for oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is O=C(OC1CCOC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The InChIKey is ROXKFWGIVGFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c17-16(18,19)11-3-1-2-10(8-11)13-4-5-14(23-13)15(20)22-12-6-7-21-9-12/h1-5,8,12H,6-7,9H2.
What are the key properties of oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate has a molecular weight of 326.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is sourced from PubChem (CID 86897204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).