N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine

C13H22F3NO2 — CID 62904862

IUPACN-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-19-8-5-12(3-6-18-7-4-12)9-17-11-1-2-11/h11,17H,1-10H2
InChIKeyNDGRSGVJMXCEQB-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.50
Rot. Bonds7

About N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62904862) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62904862
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCOCC1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-19-8-5-12(3-6-18-7-4-12)9-17-11-1-2-11/h11,17H,1-10H2
InChIKeyNDGRSGVJMXCEQB-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390794
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391143
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391147
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62391318
N-[[4-(propylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62391494
N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62391495
N-[[4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391496
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62391669
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62391670
N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392372
N-[2-ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
CID 62717829
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62720293

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine (CID 62904862) is N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine is FC(F)(F)COCCC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is NDGRSGVJMXCEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-19-8-5-12(3-6-18-7-4-12)9-17-11-1-2-11/h11,17H,1-10H2.
What are the key properties of N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 281.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62904862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).