N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine

C7H9F3N2 — CID 115257777

IUPACN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
SMILESCN(CC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H9F3N2/c1-12(5-7(8,9)10)6-2-3-11-4-6/h2-4,11H,5H2,1H3
InChIKeyHBHTXLQPUMBATH-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.01
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine

N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine (PubChem CID 115257777) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
PubChem CID115257777
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine
SMILESCN(CC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H9F3N2/c1-12(5-7(8,9)10)6-2-3-11-4-6/h2-4,11H,5H2,1H3
InChIKeyHBHTXLQPUMBATH-UHFFFAOYSA-N
XLogP2.01
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine (CID 115257777) is N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine is CN(CC(F)(F)F)c1cc[nH]c1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
The InChIKey is HBHTXLQPUMBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-12(5-7(8,9)10)6-2-3-11-4-6/h2-4,11H,5H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine?
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine has a molecular weight of 178.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrrol-3-amine is sourced from PubChem (CID 115257777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).