dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate

C20H12F3NO4 — CID 31819772

IUPACdibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H12F3NO4/c21-20(22,23)15-5-3-9-24(19(15)26)11-18(25)27-12-7-8-17-14(10-12)13-4-1-2-6-16(13)28-17/h1-10H,11H2
InChIKeyYPJAXTORASGWQA-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.37
Rot. Bonds3

About dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate

dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 31819772) has the molecular formula C20H12F3NO4 and a molecular weight of 387.31 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID31819772
Molecular FormulaC20H12F3NO4
Molecular Weight387.31 g/mol
Exact Mass387.07
IUPAC Namedibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C20H12F3NO4/c21-20(22,23)15-5-3-9-24(19(15)26)11-18(25)27-12-7-8-17-14(10-12)13-4-1-2-6-16(13)28-17/h1-10H,11H2
InChIKeyYPJAXTORASGWQA-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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CID 5153228
dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 31512137
dibenzofuran-2-yl 3-methylbut-2-enoate
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dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
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dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
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dibenzofuran-2-yl 4-phenylsulfanylbutanoate
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1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
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CID 56805508

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate (CID 31819772) is dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate is O=C(Cn1cccc(C(F)(F)F)c1=O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is YPJAXTORASGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO4/c21-20(22,23)15-5-3-9-24(19(15)26)11-18(25)27-12-7-8-17-14(10-12)13-4-1-2-6-16(13)28-17/h1-10H,11H2.
What are the key properties of dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate?
dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 387.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 31819772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).