N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine

C7H9F3N2O — CID 79101346

IUPACN-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine
SMILESFC(F)(F)OCCNn1cccc1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)13-6-3-11-12-4-1-2-5-12/h1-2,4-5,11H,3,6H2
InChIKeyNXNWHIPQVNGASZ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine

N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine (PubChem CID 79101346) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine
PubChem CID79101346
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC NameN-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine
SMILESFC(F)(F)OCCNn1cccc1
InChIInChI=1S/C7H9F3N2O/c8-7(9,10)13-6-3-11-12-4-1-2-5-12/h1-2,4-5,11H,3,6H2
InChIKeyNXNWHIPQVNGASZ-UHFFFAOYSA-N
XLogP1.57
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine (CID 79101346) is N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine is FC(F)(F)OCCNn1cccc1.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine?
The InChIKey is NXNWHIPQVNGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c8-7(9,10)13-6-3-11-12-4-1-2-5-12/h1-2,4-5,11H,3,6H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine?
N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine has a molecular weight of 194.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]pyrrol-1-amine is sourced from PubChem (CID 79101346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).