N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine

C13H22F3NO — CID 81018178

IUPACN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1CCC1CNC1CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-7-1-2-10-3-4-11(10)8-17-12-5-6-12/h10-12,17H,1-9H2
InChIKeyNZYYORDFDBCFQJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds8

About N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine

N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine (PubChem CID 81018178) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine
PubChem CID81018178
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1CCC1CNC1CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-18-7-1-2-10-3-4-11(10)8-17-12-5-6-12/h10-12,17H,1-9H2
InChIKeyNZYYORDFDBCFQJ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine 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-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine (CID 81018178) is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine is FC(F)(F)COCCCC1CCC1CNC1CC1.
What is the InChIKey of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine?
The InChIKey is NZYYORDFDBCFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-18-7-1-2-10-3-4-11(10)8-17-12-5-6-12/h10-12,17H,1-9H2.
What are the key properties of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine?
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81018178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).