2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid

C9H18FNO5 — CID 155250991

IUPAC2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid
SMILESNCC(F)COCCOCCOCC(=O)O
InChIInChI=1S/C9H18FNO5/c10-8(5-11)6-15-3-1-14-2-4-16-7-9(12)13/h8H,1-7,11H2,(H,12,13)
InChIKeyDERIKNSBKVYKCV-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.58
Rot. Bonds11

About 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid

2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid (PubChem CID 155250991) has the molecular formula C9H18FNO5 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid
PubChem CID155250991
Molecular FormulaC9H18FNO5
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid
SMILESNCC(F)COCCOCCOCC(=O)O
InChIInChI=1S/C9H18FNO5/c10-8(5-11)6-15-3-1-14-2-4-16-7-9(12)13/h8H,1-7,11H2,(H,12,13)
InChIKeyDERIKNSBKVYKCV-UHFFFAOYSA-N
XLogP-0.58
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid (CID 155250991) is 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid is NCC(F)COCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid?
The InChIKey is DERIKNSBKVYKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO5/c10-8(5-11)6-15-3-1-14-2-4-16-7-9(12)13/h8H,1-7,11H2,(H,12,13).
What are the key properties of 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid?
2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid has a molecular weight of 239.24 g/mol, XLogP of -0.58, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-amino-2-fluoropropoxy)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 155250991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).