fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate

C9H15F2NO6 — CID 143750467

IUPACfluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESO=C(F)NCCOCCOCCOCC(=O)OF
InChIInChI=1S/C9H15F2NO6/c10-9(14)12-1-2-15-3-4-16-5-6-17-7-8(13)18-11/h1-7H2,(H,12,14)
InChIKeyXAJAPGPQSMPLBF-UHFFFAOYSA-N
MW271.22 g/mol
LogP0.14
Rot. Bonds11

About fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate

fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 143750467) has the molecular formula C9H15F2NO6 and a molecular weight of 271.22 g/mol. Its IUPAC name is fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namefluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate
PubChem CID143750467
Molecular FormulaC9H15F2NO6
Molecular Weight271.22 g/mol
Exact Mass271.09
IUPAC Namefluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESO=C(F)NCCOCCOCCOCC(=O)OF
InChIInChI=1S/C9H15F2NO6/c10-9(14)12-1-2-15-3-4-16-5-6-17-7-8(13)18-11/h1-7H2,(H,12,14)
InChIKeyXAJAPGPQSMPLBF-UHFFFAOYSA-N
XLogP0.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate (CID 143750467) is fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate is O=C(F)NCCOCCOCCOCC(=O)OF.
What is the InChIKey of fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is XAJAPGPQSMPLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO6/c10-9(14)12-1-2-15-3-4-16-5-6-17-7-8(13)18-11/h1-7H2,(H,12,14).
What are the key properties of fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate?
fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 271.22 g/mol, XLogP of 0.14, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 143750467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).