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

C11H17F8NO — CID 134276387

IUPACN,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(CC)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H17F8NO/c1-3-20(4-2)5-6-21-7-9(14,15)11(18,19)10(16,17)8(12)13/h8H,3-7H2,1-2H3
InChIKeyXEVKVPSZPOOUPZ-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.52
Rot. Bonds10

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

N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (PubChem CID 134276387) has the molecular formula C11H17F8NO and a molecular weight of 331.25 g/mol. Its IUPAC name is N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
PubChem CID134276387
Molecular FormulaC11H17F8NO
Molecular Weight331.25 g/mol
Exact Mass331.12
IUPAC NameN,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine
SMILESCCN(CC)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H17F8NO/c1-3-20(4-2)5-6-21-7-9(14,15)11(18,19)10(16,17)8(12)13/h8H,3-7H2,1-2H3
InChIKeyXEVKVPSZPOOUPZ-UHFFFAOYSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]morpholin-4-ium
CID 101731129
N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
(2-Ethoxy-1,1,2,2-tetrafluoroethyl)-fluoro-(1,2,2,3-tetrafluoropropyl)-(1,1,2-trifluoroethyl)azanium
CID 20576769
N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 57680041
N-[2-(2,2,2-trifluoroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680077
4-[2-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]morpholine
CID 59012971
N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
CID 59383789
N,N-Diethyl-2-(2,2,2-trifluoroethoxy)ethan-1-amine
CID 71408315
(2-Fluoro-2-pentoxypropyl)-trimethylazanium
CID 87169847
2-(2,2-difluorobutoxy)-N,N-dimethylethanamine
CID 88582156
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
CID 91412214
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 117973097

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine (CID 134276387) is N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is CCN(CC)CCOCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
The InChIKey is XEVKVPSZPOOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F8NO/c1-3-20(4-2)5-6-21-7-9(14,15)11(18,19)10(16,17)8(12)13/h8H,3-7H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine?
N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine has a molecular weight of 331.25 g/mol, XLogP of 3.52, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethanamine is sourced from PubChem (CID 134276387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).