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

C13H24F3NO2 — CID 62719393

IUPAC2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2,3)17-8-12(4-6-18-9-12)5-7-19-10-13(14,15)16/h17H,4-10H2,1-3H3
InChIKeySZIYCRULKKZHQV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds6

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

2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62719393) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62719393
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2,3)17-8-12(4-6-18-9-12)5-7-19-10-13(14,15)16/h17H,4-10H2,1-3H3
InChIKeySZIYCRULKKZHQV-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
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 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine (CID 62719393) is 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)(C)NCC1(CCOCC(F)(F)F)CCOC1.
What is the InChIKey of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is SZIYCRULKKZHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2,3)17-8-12(4-6-18-9-12)5-7-19-10-13(14,15)16/h17H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62719393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).