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

C14H25F4NO2 — CID 103475274

IUPACN-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25F4NO2/c1-12(2)6-9(13(3,4)21-12)10(19-5)7-20-8-14(17,18)11(15)16/h9-11,19H,6-8H2,1-5H3
InChIKeyZMUZHFHGSJOQPJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.09
Rot. Bonds7

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

N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 103475274) has the molecular formula C14H25F4NO2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID103475274
Molecular FormulaC14H25F4NO2
Molecular Weight315.35 g/mol
Exact Mass315.18
IUPAC NameN-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCNC(COCC(F)(F)C(F)F)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C14H25F4NO2/c1-12(2)6-9(13(3,4)21-12)10(19-5)7-20-8-14(17,18)11(15)16/h9-11,19H,6-8H2,1-5H3
InChIKeyZMUZHFHGSJOQPJ-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.09
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-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 103475274) is N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CNC(COCC(F)(F)C(F)F)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is ZMUZHFHGSJOQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO2/c1-12(2)6-9(13(3,4)21-12)10(19-5)7-20-8-14(17,18)11(15)16/h9-11,19H,6-8H2,1-5H3.
What are the key properties of N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 315.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,3,3-tetrafluoropropoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 103475274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).