N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine

C13H23F6NO — CID 121288268

IUPACN,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine
SMILESCCN(CC)CCOCC(F)(F)CC(F)(F)CC(C)(F)F
InChIInChI=1S/C13H23F6NO/c1-4-20(5-2)6-7-21-10-13(18,19)9-12(16,17)8-11(3,14)15/h4-10H2,1-3H3
InChIKeyNAZQGXAHTXCKDH-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.05
Rot. Bonds11

About N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine

N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine (PubChem CID 121288268) has the molecular formula C13H23F6NO and a molecular weight of 323.32 g/mol. Its IUPAC name is N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine
PubChem CID121288268
Molecular FormulaC13H23F6NO
Molecular Weight323.32 g/mol
Exact Mass323.17
IUPAC NameN,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine
SMILESCCN(CC)CCOCC(F)(F)CC(F)(F)CC(C)(F)F
InChIInChI=1S/C13H23F6NO/c1-4-20(5-2)6-7-21-10-13(18,19)9-12(16,17)8-11(3,14)15/h4-10H2,1-3H3
InChIKeyNAZQGXAHTXCKDH-UHFFFAOYSA-N
XLogP4.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine (CID 121288268) is N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine is CCN(CC)CCOCC(F)(F)CC(F)(F)CC(C)(F)F.
What is the InChIKey of N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine?
The InChIKey is NAZQGXAHTXCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F6NO/c1-4-20(5-2)6-7-21-10-13(18,19)9-12(16,17)8-11(3,14)15/h4-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine?
N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine has a molecular weight of 323.32 g/mol, XLogP of 4.05, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,2,4,4,6,6-hexafluoroheptoxy)ethanamine is sourced from PubChem (CID 121288268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).