2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone

C7H6F3NO — CID 14968208

IUPAC2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h2-4H,1H3
InChIKeyLLOAKDAUOWGUJY-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.77
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone

2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 14968208) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID14968208
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone
SMILESCn1ccc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h2-4H,1H3
InChIKeyLLOAKDAUOWGUJY-UHFFFAOYSA-N
XLogP1.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone (CID 14968208) is 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone is Cn1ccc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is LLOAKDAUOWGUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h2-4H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone?
2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 177.12 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 14968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).