2-fluoro-2-(2-propoxyethoxy)acetic acid

C7H13FO4 — CID 79357516

IUPAC2-fluoro-2-(2-propoxyethoxy)acetic acid
SMILESCCCOCCOC(F)C(=O)O
InChIInChI=1S/C7H13FO4/c1-2-3-11-4-5-12-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVBKDRAKNPDQTRV-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.81
Rot. Bonds7

About 2-fluoro-2-(2-propoxyethoxy)acetic acid

2-fluoro-2-(2-propoxyethoxy)acetic acid (PubChem CID 79357516) has the molecular formula C7H13FO4 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-fluoro-2-(2-propoxyethoxy)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-propoxyethoxy)acetic acid
PubChem CID79357516
Molecular FormulaC7H13FO4
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name2-fluoro-2-(2-propoxyethoxy)acetic acid
SMILESCCCOCCOC(F)C(=O)O
InChIInChI=1S/C7H13FO4/c1-2-3-11-4-5-12-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVBKDRAKNPDQTRV-UHFFFAOYSA-N
XLogP0.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
2,3-dihydroxybutanedioic acid;2-(2-hydroxyethoxy)ethanol;2-(2-propoxyethoxy)ethanol
CID 87459170
1-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]propane
CID 130291288
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
CID 91252711
2-ethoxy-3-propoxypropanoic acid
CID 63074501
2-(2-methoxyethoxy)-3-[2-(2-methoxyethoxy)ethoxy]butanedioic acid
CID 90913494
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]butanoic acid
CID 155251143

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-propoxyethoxy)acetic acid?
The IUPAC name of 2-fluoro-2-(2-propoxyethoxy)acetic acid (CID 79357516) is 2-fluoro-2-(2-propoxyethoxy)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-propoxyethoxy)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-propoxyethoxy)acetic acid is CCCOCCOC(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-propoxyethoxy)acetic acid?
The InChIKey is VBKDRAKNPDQTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4/c1-2-3-11-4-5-12-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-fluoro-2-(2-propoxyethoxy)acetic acid?
2-fluoro-2-(2-propoxyethoxy)acetic acid has a molecular weight of 180.17 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-propoxyethoxy)acetic acid is sourced from PubChem (CID 79357516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).