N,N-diethylethanamine;octanoic acid;hydrofluoride

C14H32FNO2 — CID 174857533

IUPACN,N-diethylethanamine;octanoic acid;hydrofluoride
SMILESCCCCCCCC(=O)O.CCN(CC)CC.F
InChIInChI=1S/C8H16O2.C6H15N.FH/c1-2-3-4-5-6-7-8(9)10;1-4-7(5-2)6-3;/h2-7H2,1H3,(H,9,10);4-6H2,1-3H3;1H
InChIKeyMIETYMJJHZBAQB-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.93
Rot. Bonds9

About N,N-diethylethanamine;octanoic acid;hydrofluoride

N,N-diethylethanamine;octanoic acid;hydrofluoride (PubChem CID 174857533) has the molecular formula C14H32FNO2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N,N-diethylethanamine;octanoic acid;hydrofluoride.

Molecular Properties

Compound NameN,N-diethylethanamine;octanoic acid;hydrofluoride
PubChem CID174857533
Molecular FormulaC14H32FNO2
Molecular Weight265.41 g/mol
Exact Mass265.24
IUPAC NameN,N-diethylethanamine;octanoic acid;hydrofluoride
SMILESCCCCCCCC(=O)O.CCN(CC)CC.F
InChIInChI=1S/C8H16O2.C6H15N.FH/c1-2-3-4-5-6-7-8(9)10;1-4-7(5-2)6-3;/h2-7H2,1H3,(H,9,10);4-6H2,1-3H3;1H
InChIKeyMIETYMJJHZBAQB-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylethanamine;docosanoic acid
CID 53470672
ethane;bis(tetradecanoic acid)
CID 160722701
ethane;methane;octadecanoic acid
CID 160893009
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;octanoic acid;hydrofluoride?
The IUPAC name of N,N-diethylethanamine;octanoic acid;hydrofluoride (CID 174857533) is N,N-diethylethanamine;octanoic acid;hydrofluoride.
What is the SMILES notation for N,N-diethylethanamine;octanoic acid;hydrofluoride?
The canonical SMILES for N,N-diethylethanamine;octanoic acid;hydrofluoride is CCCCCCCC(=O)O.CCN(CC)CC.F.
What is the InChIKey of N,N-diethylethanamine;octanoic acid;hydrofluoride?
The InChIKey is MIETYMJJHZBAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H15N.FH/c1-2-3-4-5-6-7-8(9)10;1-4-7(5-2)6-3;/h2-7H2,1H3,(H,9,10);4-6H2,1-3H3;1H.
What are the key properties of N,N-diethylethanamine;octanoic acid;hydrofluoride?
N,N-diethylethanamine;octanoic acid;hydrofluoride has a molecular weight of 265.41 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;octanoic acid;hydrofluoride is sourced from PubChem (CID 174857533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).