2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone

C10H6F3NO2 — CID 3127250

IUPAC2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(c1ccc(-c2ccco2)[nH]1)C(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9(15)7-4-3-6(14-7)8-2-1-5-16-8/h1-5,14H
InChIKeyAEWZGRIZUWWPOX-UHFFFAOYSA-N
MW229.16 g/mol
LogP3.02
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone

2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone (PubChem CID 3127250) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone
PubChem CID3127250
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone
SMILESO=C(c1ccc(-c2ccco2)[nH]1)C(F)(F)F
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)9(15)7-4-3-6(14-7)8-2-1-5-16-8/h1-5,14H
InChIKeyAEWZGRIZUWWPOX-UHFFFAOYSA-N
XLogP3.02
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[1-[5-(1H-pyrrol-2-yl)-2-furyl]ethylidene]pyrrole
CID 10777789
(2Z)-5-(2-furyl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrole
CID 53391816
6-(2-Furyl)-2-pyridinecarbonitrile
CID 22939458
2,5-DI(2-Furyl)-1H-pyrrole
CID 4207410
2,6-Bis(furan-2-yl)pyridine
CID 15423031
Furan, 2-(2-pyrrolyl)-
CID 143951
1H-Pyrrole-2-carboxylic acid, 5-(2-furanyl)-, methyl ester
CID 6623248
23-Oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-2(25),3,5,7,9,15,20,22-octaene, 4-methoxy-, (5Z,15E)-
CID 15955924
(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene
CID 57339723
5-(furan-2-yl)-3-methoxy-2-[(Z)-pyrrol-2-ylidenemethyl]-1H-pyrrole
CID 137630368
Papupyrrolal
CID 129882205
2,4-Dimethyl-6-(2-furyl)pyridine
CID 599376

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone (CID 3127250) is 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone is O=C(c1ccc(-c2ccco2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone?
The InChIKey is AEWZGRIZUWWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)9(15)7-4-3-6(14-7)8-2-1-5-16-8/h1-5,14H.
What are the key properties of 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone has a molecular weight of 229.16 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(furan-2-yl)-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 3127250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).