2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol

C9H15FO2 — CID 123684854

IUPAC2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol
SMILESCC=C(OCCO)C(C)=C(C)F
InChIInChI=1S/C9H15FO2/c1-4-9(12-6-5-11)7(2)8(3)10/h4,11H,5-6H2,1-3H3
InChIKeyOEUDDUYQHSKIJE-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.16
Rot. Bonds4

About 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol

2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol (PubChem CID 123684854) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol
PubChem CID123684854
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol
SMILESCC=C(OCCO)C(C)=C(C)F
InChIInChI=1S/C9H15FO2/c1-4-9(12-6-5-11)7(2)8(3)10/h4,11H,5-6H2,1-3H3
InChIKeyOEUDDUYQHSKIJE-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol?
The IUPAC name of 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol (CID 123684854) is 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol.
What is the SMILES notation for 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol?
The canonical SMILES for 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol is CC=C(OCCO)C(C)=C(C)F.
What is the InChIKey of 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol?
The InChIKey is OEUDDUYQHSKIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-4-9(12-6-5-11)7(2)8(3)10/h4,11H,5-6H2,1-3H3.
What are the key properties of 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol?
2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol has a molecular weight of 174.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-4-methylhexa-2,4-dien-3-yl)oxyethanol is sourced from PubChem (CID 123684854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).