2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone

C8H4F3NOS — CID 66865257

IUPAC2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone
SMILESO=C(c1c[nH]c2sccc12)C(F)(F)F
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)6(13)5-3-12-7-4(5)1-2-14-7/h1-3,12H
InChIKeySSSFKSZPNQQQJD-UHFFFAOYSA-N
MW219.19 g/mol
LogP2.97
Rot. Bonds1

About 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone

2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone (PubChem CID 66865257) has the molecular formula C8H4F3NOS and a molecular weight of 219.19 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone
PubChem CID66865257
Molecular FormulaC8H4F3NOS
Molecular Weight219.19 g/mol
Exact Mass219.00
IUPAC Name2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone
SMILESO=C(c1c[nH]c2sccc12)C(F)(F)F
InChIInChI=1S/C8H4F3NOS/c9-8(10,11)6(13)5-3-12-7-4(5)1-2-14-7/h1-3,12H
InChIKeySSSFKSZPNQQQJD-UHFFFAOYSA-N
XLogP2.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone (CID 66865257) is 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone is O=C(c1c[nH]c2sccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
The InChIKey is SSSFKSZPNQQQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NOS/c9-8(10,11)6(13)5-3-12-7-4(5)1-2-14-7/h1-3,12H.
What are the key properties of 2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone?
2,2,2-trifluoro-1-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone has a molecular weight of 219.19 g/mol, XLogP of 2.97, 1 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-(6H-thieno[2,3-b]pyrrol-4-yl)ethanone is sourced from PubChem (CID 66865257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).