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

C10H17F4NO2 — CID 104748996

IUPACN-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C10H17F4NO2/c1-15-8(7-2-3-16-4-7)5-17-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3
InChIKeyJUWPHBFGTVQCKW-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.53
Rot. Bonds7

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

N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (PubChem CID 104748996) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
PubChem CID104748996
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC NameN-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CCOC1
InChIInChI=1S/C10H17F4NO2/c1-15-8(7-2-3-16-4-7)5-17-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3
InChIKeyJUWPHBFGTVQCKW-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.53
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-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine (CID 104748996) is N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is CNC(COCC(F)(F)C(F)F)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
The InChIKey is JUWPHBFGTVQCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c1-15-8(7-2-3-16-4-7)5-17-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine?
N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine has a molecular weight of 259.24 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine is sourced from PubChem (CID 104748996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).