[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate

C12H12F3NO4 — CID 134095428

IUPAC[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)C(OC)(C(F)(F)F)OC2
InChIInChI=1S/C12H12F3NO4/c1-16-10(17)20-8-4-3-7-6-19-11(18-2,9(7)5-8)12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyUYQFIJSVLVVPJI-UHFFFAOYSA-N
MW291.23 g/mol
LogP2.30
Rot. Bonds2

About [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate

[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate (PubChem CID 134095428) has the molecular formula C12H12F3NO4 and a molecular weight of 291.23 g/mol. Its IUPAC name is [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate.

Molecular Properties

Compound Name[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate
PubChem CID134095428
Molecular FormulaC12H12F3NO4
Molecular Weight291.23 g/mol
Exact Mass291.07
IUPAC Name[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)C(OC)(C(F)(F)F)OC2
InChIInChI=1S/C12H12F3NO4/c1-16-10(17)20-8-4-3-7-6-19-11(18-2,9(7)5-8)12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17)
InChIKeyUYQFIJSVLVVPJI-UHFFFAOYSA-N
XLogP2.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate?
The IUPAC name of [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate (CID 134095428) is [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate.
What is the SMILES notation for [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate?
The canonical SMILES for [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)C(OC)(C(F)(F)F)OC2.
What is the InChIKey of [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate?
The InChIKey is UYQFIJSVLVVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO4/c1-16-10(17)20-8-4-3-7-6-19-11(18-2,9(7)5-8)12(13,14)15/h3-5H,6H2,1-2H3,(H,16,17).
What are the key properties of [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate?
[3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate has a molecular weight of 291.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-3-(trifluoromethyl)-1H-2-benzofuran-5-yl] N-methylcarbamate is sourced from PubChem (CID 134095428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).