N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

C11H19F4NO2 — CID 104748994

IUPACN-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C11H19F4NO2/c1-2-16-9(8-3-4-17-5-8)6-18-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3
InChIKeyPZSAVZWHZAFTBE-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.92
Rot. Bonds8

About N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine

N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 104748994) has the molecular formula C11H19F4NO2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID104748994
Molecular FormulaC11H19F4NO2
Molecular Weight273.27 g/mol
Exact Mass273.14
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C11H19F4NO2/c1-2-16-9(8-3-4-17-5-8)6-18-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3
InChIKeyPZSAVZWHZAFTBE-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.92
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 N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 104748994) is N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CCNC(COCC(F)(F)C(F)F)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is PZSAVZWHZAFTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO2/c1-2-16-9(8-3-4-17-5-8)6-18-7-11(14,15)10(12)13/h8-10,16H,2-7H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 273.27 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 104748994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).