2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone

C11H8F3NO2 — CID 14985836

IUPAC2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
SMILESO=C(c1cccn1Cc1ccco1)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(16)9-4-1-5-15(9)7-8-3-2-6-17-8/h1-6H,7H2
InChIKeyJVERBOBJKHBQNR-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.87
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone

2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone (PubChem CID 14985836) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
PubChem CID14985836
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone
SMILESO=C(c1cccn1Cc1ccco1)C(F)(F)F
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)10(16)9-4-1-5-15(9)7-8-3-2-6-17-8/h1-6H,7H2
InChIKeyJVERBOBJKHBQNR-UHFFFAOYSA-N
XLogP2.87
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone (CID 14985836) is 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone is O=C(c1cccn1Cc1ccco1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
The InChIKey is JVERBOBJKHBQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)10(16)9-4-1-5-15(9)7-8-3-2-6-17-8/h1-6H,7H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone?
2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone has a molecular weight of 243.18 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanone is sourced from PubChem (CID 14985836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).