N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine

C6H9F3N2O — CID 82722858

IUPACN-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)CONC1=NCCC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-12-11-5-2-1-3-10-5/h1-4H2,(H,10,11)
InChIKeyACJCXPXHSCNEHU-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.26
Rot. Bonds2

About N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine

N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 82722858) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID82722858
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC NameN-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine
SMILESFC(F)(F)CONC1=NCCC1
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)4-12-11-5-2-1-3-10-5/h1-4H2,(H,10,11)
InChIKeyACJCXPXHSCNEHU-UHFFFAOYSA-N
XLogP1.26
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine (CID 82722858) is N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine is FC(F)(F)CONC1=NCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is ACJCXPXHSCNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)4-12-11-5-2-1-3-10-5/h1-4H2,(H,10,11).
What are the key properties of N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 182.14 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 82722858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).