N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine

C13H24F3NO2 — CID 62719202

IUPACN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-2-6-17-9-12(5-8-19-10-12)4-3-7-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyBDYBTKNUHZVOAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds9

About N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine

N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine (PubChem CID 62719202) 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-1-amine.

Molecular Properties

Compound NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
PubChem CID62719202
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC NameN-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine
SMILESCCCNCC1(CCCOCC(F)(F)F)CCOC1
InChIInChI=1S/C13H24F3NO2/c1-2-6-17-9-12(5-8-19-10-12)4-3-7-18-11-13(14,15)16/h17H,2-11H2,1H3
InChIKeyBDYBTKNUHZVOAT-UHFFFAOYSA-N
XLogP2.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

CID 132398658
CID 132398658
CID 155190618
CID 155190618
CID 55106752
CID 55106752
CID 55106802
CID 55106802
CID 55107180
CID 55107180
CID 55118523
CID 55118523
CID 55149571
CID 55149571
CID 55151608
CID 55151608
CID 62717832
CID 62717832
CID 62717837
CID 62717837
CID 62717865
CID 62717865
CID 62718051
CID 62718051

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine (CID 62719202) is N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine is CCCNCC1(CCCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
The InChIKey is BDYBTKNUHZVOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-2-6-17-9-12(5-8-19-10-12)4-3-7-18-11-13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine?
N-[[3-[3-(2,2,2-trifluoroethoxy)propyl]oxolan-3-yl]methyl]propan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 9 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-1-amine is sourced from PubChem (CID 62719202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).