1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

C12H17F3N2O — CID 55010269

IUPAC1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cccn1C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-9(2)17(8-12(13,14)15)7-11(18)10-5-4-6-16(10)3/h4-6,9H,7-8H2,1-3H3
InChIKeyZDQSDVQMHVMRSK-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.48
Rot. Bonds5

About 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone

1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 55010269) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID55010269
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(C)N(CC(=O)c1cccn1C)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-9(2)17(8-12(13,14)15)7-11(18)10-5-4-6-16(10)3/h4-6,9H,7-8H2,1-3H3
InChIKeyZDQSDVQMHVMRSK-UHFFFAOYSA-N
XLogP2.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone (CID 55010269) is 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is CC(C)N(CC(=O)c1cccn1C)CC(F)(F)F.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is ZDQSDVQMHVMRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-9(2)17(8-12(13,14)15)7-11(18)10-5-4-6-16(10)3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone?
1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 262.27 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 55010269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).