2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C11H15F3N2O — CID 55010595

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1ccn(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-3-16(8-11(12,13)14)7-10(17)9-4-5-15(2)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyQRBXNMUMDCQCJZ-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.09
Rot. Bonds5

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 55010595) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID55010595
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCN(CC(=O)c1ccn(C)c1)CC(F)(F)F
InChIInChI=1S/C11H15F3N2O/c1-3-16(8-11(12,13)14)7-10(17)9-4-5-15(2)6-9/h4-6H,3,7-8H2,1-2H3
InChIKeyQRBXNMUMDCQCJZ-UHFFFAOYSA-N
XLogP2.09
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrrol-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010509
2-[ethyl-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]amino]-N,N-dimethylacetamide
CID 62037280
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 43795621
1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55138272
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
1-(3-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55010701
3-(1-methylpyrrol-3-yl)-3-oxopropanal
CID 82467797
4-(1-methylpyrrol-3-yl)-4-oxobutanoic acid
CID 82280838
2-[(4-bromophenyl)methyl-methylamino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62030742
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55248864
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 55010595) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is CCN(CC(=O)c1ccn(C)c1)CC(F)(F)F.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is QRBXNMUMDCQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-3-16(8-11(12,13)14)7-10(17)9-4-5-15(2)6-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 248.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 55010595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).