2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C13H23F4NO2 — CID 103474705

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)COCC(F)(F)C(F)F)C(C)(C)O1
InChIInChI=1S/C13H23F4NO2/c1-11(2)5-8(12(3,4)20-11)9(18)6-19-7-13(16,17)10(14)15/h8-10H,5-7,18H2,1-4H3
InChIKeyPJSKAHMPVSNOPC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.82
Rot. Bonds6

About 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 103474705) has the molecular formula C13H23F4NO2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID103474705
Molecular FormulaC13H23F4NO2
Molecular Weight301.32 g/mol
Exact Mass301.17
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)COCC(F)(F)C(F)F)C(C)(C)O1
InChIInChI=1S/C13H23F4NO2/c1-11(2)5-8(12(3,4)20-11)9(18)6-19-7-13(16,17)10(14)15/h8-10H,5-7,18H2,1-4H3
InChIKeyPJSKAHMPVSNOPC-UHFFFAOYSA-N
XLogP2.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 103474705) is 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CC1(C)CC(C(N)COCC(F)(F)C(F)F)C(C)(C)O1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is PJSKAHMPVSNOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO2/c1-11(2)5-8(12(3,4)20-11)9(18)6-19-7-13(16,17)10(14)15/h8-10H,5-7,18H2,1-4H3.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 301.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 103474705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).