2-fluoro-2-pent-4-enoxyacetic acid

C7H11FO3 — CID 79356959

IUPAC2-fluoro-2-pent-4-enoxyacetic acid
SMILESC=CCCCOC(F)C(=O)O
InChIInChI=1S/C7H11FO3/c1-2-3-4-5-11-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)
InChIKeyULTQQGZFFUHYCZ-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.35
Rot. Bonds6

About 2-fluoro-2-pent-4-enoxyacetic acid

2-fluoro-2-pent-4-enoxyacetic acid (PubChem CID 79356959) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-fluoro-2-pent-4-enoxyacetic acid.

Molecular Properties

Compound Name2-fluoro-2-pent-4-enoxyacetic acid
PubChem CID79356959
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-fluoro-2-pent-4-enoxyacetic acid
SMILESC=CCCCOC(F)C(=O)O
InChIInChI=1S/C7H11FO3/c1-2-3-4-5-11-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10)
InChIKeyULTQQGZFFUHYCZ-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-pent-4-enoxyacetic acid?
The IUPAC name of 2-fluoro-2-pent-4-enoxyacetic acid (CID 79356959) is 2-fluoro-2-pent-4-enoxyacetic acid.
What is the SMILES notation for 2-fluoro-2-pent-4-enoxyacetic acid?
The canonical SMILES for 2-fluoro-2-pent-4-enoxyacetic acid is C=CCCCOC(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-pent-4-enoxyacetic acid?
The InChIKey is ULTQQGZFFUHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-2-3-4-5-11-6(8)7(9)10/h2,6H,1,3-5H2,(H,9,10).
What are the key properties of 2-fluoro-2-pent-4-enoxyacetic acid?
2-fluoro-2-pent-4-enoxyacetic acid has a molecular weight of 162.16 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-pent-4-enoxyacetic acid is sourced from PubChem (CID 79356959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).