2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone

C10H6F3NOS — CID 3127251

IUPAC2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1ccc(-c2cccs2)[nH]1)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)7-4-3-6(14-7)8-2-1-5-16-8/h1-5,14H
InChIKeyXYIYDUFITJRPAO-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.49
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone

2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone (PubChem CID 3127251) has the molecular formula C10H6F3NOS and a molecular weight of 245.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone
PubChem CID3127251
Molecular FormulaC10H6F3NOS
Molecular Weight245.23 g/mol
Exact Mass245.01
IUPAC Name2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1ccc(-c2cccs2)[nH]1)C(F)(F)F
InChIInChI=1S/C10H6F3NOS/c11-10(12,13)9(15)7-4-3-6(14-7)8-2-1-5-16-8/h1-5,14H
InChIKeyXYIYDUFITJRPAO-UHFFFAOYSA-N
XLogP3.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(thiophen-2-yl)-1H-pyrrole-2-carbaldehyde
CID 1201026
1-(4H-thieno[3,2-b]pyrrol-5-yl)ethanone
CID 713791
thiophen-2-yl-[3-(2,2,2-trifluoroethyl)-1H-indol-2-yl]methanone
CID 146165102
4H-Thieno[3,2-b]pyrrole-5-carboxamide
CID 18524389
2-(Thiophene-2-carbonyl)pyrrole
CID 19914029
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
(E)-3-(2-thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one
CID 5470457
5-[[5-(2,3,4,5,6-pentafluorobenzoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carbaldehyde
CID 58795710
5-[[5-(4-fluorobenzoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carbaldehyde
CID 58795719
6-fluoro-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
CID 88977611
1-(2,3-difluoro-4H-thieno[3,2-b]pyrrol-5-yl)-2-methylpropan-1-one
CID 91398622
1-(2-fluoro-4H-thieno[3,2-b]pyrrol-5-yl)ethanone
CID 91566190

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone (CID 3127251) is 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone is O=C(c1ccc(-c2cccs2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone?
The InChIKey is XYIYDUFITJRPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NOS/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-thiophen-2-yl-1H-pyrrol-2-yl)ethanone?
2,2,2-trifluoro-1-(5-thiophen-2-yl-1H-pyrrol-2-yl)ethanone has a molecular weight of 245.23 g/mol, XLogP of 3.49, 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-thiophen-2-yl-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 3127251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).