1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO2 — CID 103147952

IUPAC1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC1(C)CC(C(N)CCOCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C13H24F3NO2/c1-11(2)7-9(12(3,4)19-11)10(17)5-6-18-8-13(14,15)16/h9-10H,5-8,17H2,1-4H3
InChIKeyUMFCZUGAPJPGDM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds5

About 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103147952) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103147952
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC1(C)CC(C(N)CCOCC(F)(F)F)C(C)(C)O1
InChIInChI=1S/C13H24F3NO2/c1-11(2)7-9(12(3,4)19-11)10(17)5-6-18-8-13(14,15)16/h9-10H,5-8,17H2,1-4H3
InChIKeyUMFCZUGAPJPGDM-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148221
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148226
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148477
3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103148800
1-(2,2-Difluoroethoxy)-6-methoxy-6-methylheptan-3-amine
CID 103149124
3-(2,2-difluoroethoxy)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149133
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149468
3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 103149793
[1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151528
[3-(2,2-Difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propyl]hydrazine
CID 103151849
1-(2,2,5,5-Tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216467
3,3,3-Trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312354

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103147952) is 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC1(C)CC(C(N)CCOCC(F)(F)F)C(C)(C)O1.
What is the InChIKey of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is UMFCZUGAPJPGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-11(2)7-9(12(3,4)19-11)10(17)5-6-18-8-13(14,15)16/h9-10H,5-8,17H2,1-4H3.
What are the key properties of 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5,5-tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103147952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).