N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine

C12H22F3NO — CID 62726419

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-2-16-9-11(5-3-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyGAYWFIZWOZHZAZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine (PubChem CID 62726419) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
PubChem CID62726419
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
SMILESCCNCC1(CCOCC(F)(F)F)CCCC1
InChIInChI=1S/C12H22F3NO/c1-2-16-9-11(5-3-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyGAYWFIZWOZHZAZ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine 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-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine (CID 62726419) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine is CCNCC1(CCOCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine?
The InChIKey is GAYWFIZWOZHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-16-9-11(5-3-4-6-11)7-8-17-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 62726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).