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

C13H22F3NO2 — CID 55118523

IUPACN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-18-6-1-4-12(5-7-19-9-12)8-17-11-2-3-11/h11,17H,1-10H2
InChIKeyDPYLSNPJFZITTF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds8

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

N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 55118523) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID55118523
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-18-6-1-4-12(5-7-19-9-12)8-17-11-2-3-11/h11,17H,1-10H2
InChIKeyDPYLSNPJFZITTF-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.50
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-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine (CID 55118523) is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine is FC(F)(F)COCCCC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is DPYLSNPJFZITTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-18-6-1-4-12(5-7-19-9-12)8-17-11-2-3-11/h11,17H,1-10H2.
What are the key properties of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55118523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).