3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C16H31F2NO2 — CID 103149793

IUPAC3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H31F2NO2/c1-6-8-19-13(7-9-20-11-14(17)18)12-10-15(2,3)21-16(12,4)5/h12-14,19H,6-11H2,1-5H3
InChIKeyWIHWGYRACQVPCP-UHFFFAOYSA-N
MW307.43 g/mol
LogP3.62
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 103149793) has the molecular formula C16H31F2NO2 and a molecular weight of 307.43 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID103149793
Molecular FormulaC16H31F2NO2
Molecular Weight307.43 g/mol
Exact Mass307.23
IUPAC Name3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H31F2NO2/c1-6-8-19-13(7-9-20-11-14(17)18)12-10-15(2,3)21-16(12,4)5/h12-14,19H,6-11H2,1-5H3
InChIKeyWIHWGYRACQVPCP-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)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

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
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
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-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103149500
N-ethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216466
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216470
N-[1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216472
3,3,3-trifluoro-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312355
N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 103475274

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 103149793) is 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CCCNC(CCOCC(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is WIHWGYRACQVPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2NO2/c1-6-8-19-13(7-9-20-11-14(17)18)12-10-15(2,3)21-16(12,4)5/h12-14,19H,6-11H2,1-5H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 307.43 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103149793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).