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

C13H25F2NO2 — CID 103148800

IUPAC3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(C(N)CCOCC(F)F)C(C)(C)O1
InChIInChI=1S/C13H25F2NO2/c1-12(2)7-9(13(3,4)18-12)10(16)5-6-17-8-11(14)15/h9-11H,5-8,16H2,1-4H3
InChIKeyMDWQJAULRXANFH-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.58
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 103148800) has the molecular formula C13H25F2NO2 and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID103148800
Molecular FormulaC13H25F2NO2
Molecular Weight265.34 g/mol
Exact Mass265.19
IUPAC Name3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(C(N)CCOCC(F)F)C(C)(C)O1
InChIInChI=1S/C13H25F2NO2/c1-12(2)7-9(13(3,4)18-12)10(16)5-6-17-8-11(14)15/h9-11H,5-8,16H2,1-4H3
InChIKeyMDWQJAULRXANFH-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.58
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

1-(2,2,5,5-Tetramethyloxolan-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147952
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
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 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 103148800) is 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CC1(C)CC(C(N)CCOCC(F)F)C(C)(C)O1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is MDWQJAULRXANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO2/c1-12(2)7-9(13(3,4)18-12)10(16)5-6-17-8-11(14)15/h9-11H,5-8,16H2,1-4H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 265.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103148800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).