[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate

C13H10F3NO3 — CID 174456092

IUPAC[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate
SMILESCCC(=O)Oc1cc(-c2ccncc2)oc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-2-11(18)19-10-7-9(8-3-5-17-6-4-8)20-12(10)13(14,15)16/h3-7H,2H2,1H3
InChIKeyAVKCVMXRCFQJQW-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.68
Rot. Bonds3

About [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate

[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate (PubChem CID 174456092) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate.

Molecular Properties

Compound Name[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate
PubChem CID174456092
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate
SMILESCCC(=O)Oc1cc(-c2ccncc2)oc1C(F)(F)F
InChIInChI=1S/C13H10F3NO3/c1-2-11(18)19-10-7-9(8-3-5-17-6-4-8)20-12(10)13(14,15)16/h3-7H,2H2,1H3
InChIKeyAVKCVMXRCFQJQW-UHFFFAOYSA-N
XLogP3.68
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-5-phenylfuran-3-yl) propanoate
CID 102515590
(4-methyl-3-pyridinyl) propanoate
CID 175779158
[4-(2-ethoxy-2-oxoethyl)-3-pyridinyl] propanoate
CID 156905483
2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
[3,5-bis(trifluoromethyl)phenyl] propanoate
CID 87351325
1-(3-methyl-5-pyridin-4-ylfuran-2-yl)ethanone
CID 59108811
(3-phenoxy-4-pyridinyl) propanoate
CID 19755132
ethyl 3-pyridin-4-yl-4-(trifluoromethyl)benzoate
CID 46317774
(3-hydroxy-2-methyl-4-pyridinyl) propanoate
CID 90934797
(4-ethyl-2-propanoyloxyphenyl) propanoate
CID 90024003
[4-(5-hydroxy-4-oxo-7-propanoyloxychromen-2-yl)phenyl] propanoate
CID 146662894
5,7-dipropoxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 10476419

Frequently Asked Questions

What is the IUPAC name of [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate?
The IUPAC name of [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate (CID 174456092) is [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate.
What is the SMILES notation for [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate?
The canonical SMILES for [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate is CCC(=O)Oc1cc(-c2ccncc2)oc1C(F)(F)F.
What is the InChIKey of [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate?
The InChIKey is AVKCVMXRCFQJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3/c1-2-11(18)19-10-7-9(8-3-5-17-6-4-8)20-12(10)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate?
[5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate has a molecular weight of 285.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-pyridin-4-yl-2-(trifluoromethyl)furan-3-yl] propanoate is sourced from PubChem (CID 174456092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).