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

C13H24F3NO2 — CID 62718675

IUPACN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)17-8-12(5-7-19-9-12)4-3-6-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyBJQOMLAXOBMJHQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds8

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

N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718675) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718675
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-11(2)17-8-12(5-7-19-9-12)4-3-6-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyBJQOMLAXOBMJHQ-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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 N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine (CID 62718675) is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is BJQOMLAXOBMJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)17-8-12(5-7-19-9-12)4-3-6-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 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]propan-2-amine is sourced from PubChem (CID 62718675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).