N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine

C11H20F3NO — CID 66025343

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)15-7-10(3-4-10)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyREJVPUQTXURONX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine (PubChem CID 66025343) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine
PubChem CID66025343
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-9(2)15-7-10(3-4-10)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyREJVPUQTXURONX-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine (CID 66025343) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine is CC(C)NCC1(CCOCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
The InChIKey is REJVPUQTXURONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(2)15-7-10(3-4-10)5-6-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]methyl]propan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 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]cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 66025343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).