2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid

C10H20FNO5 — CID 138695823

IUPAC2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid
SMILESCC(OCCOCCOCC(=O)O)C(F)CN
InChIInChI=1S/C10H20FNO5/c1-8(9(11)6-12)17-5-4-15-2-3-16-7-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyZLIYOOHYKHWKCD-UHFFFAOYSA-N
MW253.27 g/mol
LogP-0.19
Rot. Bonds11

About 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid

2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid (PubChem CID 138695823) has the molecular formula C10H20FNO5 and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid
PubChem CID138695823
Molecular FormulaC10H20FNO5
Molecular Weight253.27 g/mol
Exact Mass253.13
IUPAC Name2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid
SMILESCC(OCCOCCOCC(=O)O)C(F)CN
InChIInChI=1S/C10H20FNO5/c1-8(9(11)6-12)17-5-4-15-2-3-16-7-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeyZLIYOOHYKHWKCD-UHFFFAOYSA-N
XLogP-0.19
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-0.19
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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Related Compounds

2-[2-(1-aminoethoxy)ethoxy]acetic acid
CID 19037384
tert-butyl N-[4-[2-[2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]butyl]carbamate
CID 170533735
2-(2-butan-2-yloxyethoxy)acetic acid
CID 58779511
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetic acid;methylazanium
CID 142879742
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
CID 172772523
2-[2-[2-[2-(3-hydroxypentoxy)ethoxy]ethoxy]ethoxy]acetic acid
CID 163504653
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
tert-butyl N-[2-(4-amino-3-fluorobutan-2-yl)oxyethyl]carbamate
CID 138694050
2-[2-(2-methoxyethoxy)ethoxy]acetic acid;zinc
CID 87575071
N-[2-fluoro-3-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]butyl]acetamide;methanethiol
CID 169215028

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid (CID 138695823) is 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid is CC(OCCOCCOCC(=O)O)C(F)CN.
What is the InChIKey of 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid?
The InChIKey is ZLIYOOHYKHWKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO5/c1-8(9(11)6-12)17-5-4-15-2-3-16-7-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid?
2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid has a molecular weight of 253.27 g/mol, XLogP of -0.19, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-amino-3-fluorobutan-2-yl)oxyethoxy]ethoxy]acetic acid is sourced from PubChem (CID 138695823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).