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

C12H8F3NO — CID 3436213

IUPAC2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,16H
InChIKeyGUYVQSCARHBGSB-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.43
Rot. Bonds2

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

2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone (PubChem CID 3436213) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone
PubChem CID3436213
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,16H
InChIKeyGUYVQSCARHBGSB-UHFFFAOYSA-N
XLogP3.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone (CID 3436213) is 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone is O=C(c1ccc(-c2ccccc2)[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone?
The InChIKey is GUYVQSCARHBGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11(17)10-7-6-9(16-10)8-4-2-1-3-5-8/h1-7,16H.
What are the key properties of 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone?
2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone has a molecular weight of 239.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-phenyl-1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 3436213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).