2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C11H12F3NO2 — CID 116572865

IUPAC2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccco1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)6-8-2-1-5-17-8/h1-2,5,15H,3-4,6-7H2
InChIKeyORDCVFDIVCXEEK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.93
Rot. Bonds3

About 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 116572865) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID116572865
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESO=C(Cc1ccco1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)6-8-2-1-5-17-8/h1-2,5,15H,3-4,6-7H2
InChIKeyORDCVFDIVCXEEK-UHFFFAOYSA-N
XLogP1.93
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 116572865) is 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is O=C(Cc1ccco1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is ORDCVFDIVCXEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)6-8-2-1-5-17-8/h1-2,5,15H,3-4,6-7H2.
What are the key properties of 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 247.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 116572865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).