N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

C11H17F8NO — CID 138687369

IUPACN,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(CC)C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H17F8NO/c1-4-20(5-2)7(3)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,4-6H2,1-3H3
InChIKeyAPURIVRWDZJSGD-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.86
Rot. Bonds9

About N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine

N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (PubChem CID 138687369) has the molecular formula C11H17F8NO and a molecular weight of 331.25 g/mol. Its IUPAC name is N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
PubChem CID138687369
Molecular FormulaC11H17F8NO
Molecular Weight331.25 g/mol
Exact Mass331.12
IUPAC NameN,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(CC)C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H17F8NO/c1-4-20(5-2)7(3)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,4-6H2,1-3H3
InChIKeyAPURIVRWDZJSGD-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,2,2,3,3-hexafluoropropoxy)-N,N-bis[1-(1,1,2,2,3,3-hexafluoropropoxy)ethyl]ethanamine
CID 88834731
1-[1-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]pyrrolidine
CID 134263894
N-ethyl-N-methyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134276371
N-methyl-N-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]butan-1-amine
CID 134276376
Diethyl-methyl-[2-(2,2,3,3,4,4,5,5-octafluorohexoxy)ethyl]azanium
CID 134276377
Diethyl-methyl-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]azanium
CID 134276378
N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
CID 134276387
1-[1-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]piperidine
CID 138687368
N,N-diethyl-1-(1,2,2-trifluoroethoxy)ethanamine
CID 138687370
Diethyl-methyl-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]azanium;iodide
CID 138687373
Diethyl-methyl-[1-(1,2,2-trifluoroethoxy)ethyl]azanium
CID 138687375
Diethyl-methyl-[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]azanium iodide
CID 138687376

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The IUPAC name of N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (CID 138687369) is N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The canonical SMILES for N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is CCN(CC)C(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The InChIKey is APURIVRWDZJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F8NO/c1-4-20(5-2)7(3)21-6-9(14,15)11(18,19)10(16,17)8(12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine has a molecular weight of 331.25 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is sourced from PubChem (CID 138687369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).