2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone

C13H12F3NO — CID 10824890

IUPAC2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC1=CC(c2ccccc2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-9-7-11(10-5-3-2-4-6-10)8-17(9)12(18)13(14,15)16/h2-7,11H,8H2,1H3
InChIKeyRSEGMWAFBAOIDC-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.08
Rot. Bonds1

About 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone

2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone (PubChem CID 10824890) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone
PubChem CID10824890
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone
SMILESCC1=CC(c2ccccc2)CN1C(=O)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-9-7-11(10-5-3-2-4-6-10)8-17(9)12(18)13(14,15)16/h2-7,11H,8H2,1H3
InChIKeyRSEGMWAFBAOIDC-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone (CID 10824890) is 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone is CC1=CC(c2ccccc2)CN1C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone?
The InChIKey is RSEGMWAFBAOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-9-7-11(10-5-3-2-4-6-10)8-17(9)12(18)13(14,15)16/h2-7,11H,8H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone?
2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone has a molecular weight of 255.24 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-methyl-3-phenyl-2,3-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 10824890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).