N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide

C11H15F3N2O — CID 84594972

IUPACN-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)CCCn1cccc1
InChIInChI=1S/C11H15F3N2O/c1-15(9-11(12,13)14)10(17)5-4-8-16-6-2-3-7-16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyIIPYAIMPAZUDII-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide

N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 84594972) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID84594972
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)CCCn1cccc1
InChIInChI=1S/C11H15F3N2O/c1-15(9-11(12,13)14)10(17)5-4-8-16-6-2-3-7-16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyIIPYAIMPAZUDII-UHFFFAOYSA-N
XLogP2.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 84594972) is N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide is CN(CC(F)(F)F)C(=O)CCCn1cccc1.
What is the InChIKey of N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is IIPYAIMPAZUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-15(9-11(12,13)14)10(17)5-4-8-16-6-2-3-7-16/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide?
N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 248.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 84594972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).