2-[di(nonyl)amino]ethyl 2-fluoroacetate

C22H44FNO2 — CID 59204000

IUPAC2-[di(nonyl)amino]ethyl 2-fluoroacetate
SMILESCCCCCCCCCN(CCCCCCCCC)CCOC(=O)CF
InChIInChI=1S/C22H44FNO2/c1-3-5-7-9-11-13-15-17-24(19-20-26-22(25)21-23)18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyHBZLMQDBWPDZRF-UHFFFAOYSA-N
MW373.60 g/mol
LogP6.30
Rot. Bonds20

About 2-[di(nonyl)amino]ethyl 2-fluoroacetate

2-[di(nonyl)amino]ethyl 2-fluoroacetate (PubChem CID 59204000) has the molecular formula C22H44FNO2 and a molecular weight of 373.60 g/mol. Its IUPAC name is 2-[di(nonyl)amino]ethyl 2-fluoroacetate.

Molecular Properties

Compound Name2-[di(nonyl)amino]ethyl 2-fluoroacetate
PubChem CID59204000
Molecular FormulaC22H44FNO2
Molecular Weight373.60 g/mol
Exact Mass373.34
IUPAC Name2-[di(nonyl)amino]ethyl 2-fluoroacetate
SMILESCCCCCCCCCN(CCCCCCCCC)CCOC(=O)CF
InChIInChI=1S/C22H44FNO2/c1-3-5-7-9-11-13-15-17-24(19-20-26-22(25)21-23)18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyHBZLMQDBWPDZRF-UHFFFAOYSA-N
XLogP6.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.60
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[di(nonyl)amino]ethyl 2-fluoroacetate?
The IUPAC name of 2-[di(nonyl)amino]ethyl 2-fluoroacetate (CID 59204000) is 2-[di(nonyl)amino]ethyl 2-fluoroacetate.
What is the SMILES notation for 2-[di(nonyl)amino]ethyl 2-fluoroacetate?
The canonical SMILES for 2-[di(nonyl)amino]ethyl 2-fluoroacetate is CCCCCCCCCN(CCCCCCCCC)CCOC(=O)CF.
What is the InChIKey of 2-[di(nonyl)amino]ethyl 2-fluoroacetate?
The InChIKey is HBZLMQDBWPDZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44FNO2/c1-3-5-7-9-11-13-15-17-24(19-20-26-22(25)21-23)18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3.
What are the key properties of 2-[di(nonyl)amino]ethyl 2-fluoroacetate?
2-[di(nonyl)amino]ethyl 2-fluoroacetate has a molecular weight of 373.60 g/mol, XLogP of 6.30, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(nonyl)amino]ethyl 2-fluoroacetate is sourced from PubChem (CID 59204000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).