(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate

C12H8F3NO3 — CID 56783255

IUPAC(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate
SMILESO=C(OC(c1cccnc1)C(F)(F)F)c1ccoc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)10(8-2-1-4-16-6-8)19-11(17)9-3-5-18-7-9/h1-7,10H
InChIKeyGWPSUBYDFJUNHD-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.13
Rot. Bonds3

About (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate

(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate (PubChem CID 56783255) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate.

Molecular Properties

Compound Name(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate
PubChem CID56783255
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate
SMILESO=C(OC(c1cccnc1)C(F)(F)F)c1ccoc1
InChIInChI=1S/C12H8F3NO3/c13-12(14,15)10(8-2-1-4-16-6-8)19-11(17)9-3-5-18-7-9/h1-7,10H
InChIKeyGWPSUBYDFJUNHD-UHFFFAOYSA-N
XLogP3.13
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate?
The IUPAC name of (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate (CID 56783255) is (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate.
What is the SMILES notation for (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate?
The canonical SMILES for (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate is O=C(OC(c1cccnc1)C(F)(F)F)c1ccoc1.
What is the InChIKey of (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate?
The InChIKey is GWPSUBYDFJUNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c13-12(14,15)10(8-2-1-4-16-6-8)19-11(17)9-3-5-18-7-9/h1-7,10H.
What are the key properties of (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate?
(2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate has a molecular weight of 271.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoro-1-pyridin-3-ylethyl) furan-3-carboxylate is sourced from PubChem (CID 56783255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).