2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid

C9H13FO3 — CID 123750938

IUPAC2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid
SMILESC=C(F)C=C(CC)COCC(=O)O
InChIInChI=1S/C9H13FO3/c1-3-8(4-7(2)10)5-13-6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12)
InChIKeySUKVRSFSNCRDED-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.91
Rot. Bonds6

About 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid

2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid (PubChem CID 123750938) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid
PubChem CID123750938
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Name2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid
SMILESC=C(F)C=C(CC)COCC(=O)O
InChIInChI=1S/C9H13FO3/c1-3-8(4-7(2)10)5-13-6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12)
InChIKeySUKVRSFSNCRDED-UHFFFAOYSA-N
XLogP1.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid?
The IUPAC name of 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid (CID 123750938) is 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid.
What is the SMILES notation for 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid?
The canonical SMILES for 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid is C=C(F)C=C(CC)COCC(=O)O.
What is the InChIKey of 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid?
The InChIKey is SUKVRSFSNCRDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-3-8(4-7(2)10)5-13-6-9(11)12/h4H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid?
2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid has a molecular weight of 188.20 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-fluoropenta-2,4-dienoxy)acetic acid is sourced from PubChem (CID 123750938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).