N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine

C12H21F3N2O — CID 55092311

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCN1CCCC1CNC1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-7-6-17-5-1-2-11(17)8-16-10-3-4-10/h10-11,16H,1-9H2
InChIKeyJUEAQCDNQXRDHU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine (PubChem CID 55092311) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine
PubChem CID55092311
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCN1CCCC1CNC1CC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)9-18-7-6-17-5-1-2-11(17)8-16-10-3-4-10/h10-11,16H,1-9H2
InChIKeyJUEAQCDNQXRDHU-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine (CID 55092311) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine is FC(F)(F)COCCN1CCCC1CNC1CC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
The InChIKey is JUEAQCDNQXRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)9-18-7-6-17-5-1-2-11(17)8-16-10-3-4-10/h10-11,16H,1-9H2.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine has a molecular weight of 266.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55092311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).