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

C12H20F3NO2 — CID 62720293

IUPACN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-18-6-4-11(3-5-17-8-11)7-16-10-1-2-10/h10,16H,1-9H2
InChIKeyXOMDDYNUCGEUOZ-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.11
Rot. Bonds7

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

N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62720293) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62720293
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)9-18-6-4-11(3-5-17-8-11)7-16-10-1-2-10/h10,16H,1-9H2
InChIKeyXOMDDYNUCGEUOZ-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.11
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-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55118523
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]propan-2-amine
CID 62718191
2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 62718369
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-1-amine
CID 62718672
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62719374
2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 62719393
3-Furanmethanamine, tetrahydro-N-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-
CID 62720272
2-methoxy-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62720307
N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
CID 62723269
N-[[4-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-yl]methyl]cyclopropanamine
CID 62904862
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66025343

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62720293) is N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine is FC(F)(F)COCCC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is XOMDDYNUCGEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)9-18-6-4-11(3-5-17-8-11)7-16-10-1-2-10/h10,16H,1-9H2.
What are the key properties of N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 267.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62720293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).