5-fluoro-2-methylidenehexa-3,5-dienoyl chloride

C7H6ClFO — CID 91050419

IUPAC5-fluoro-2-methylidenehexa-3,5-dienoyl chloride
SMILESC=C(F)C=CC(=C)C(=O)Cl
InChIInChI=1S/C7H6ClFO/c1-5(7(8)10)3-4-6(2)9/h3-4H,1-2H2
InChIKeyLFEWPACPJGSNKZ-UHFFFAOYSA-N
MW160.57 g/mol
LogP2.35
Rot. Bonds3

About 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride

5-fluoro-2-methylidenehexa-3,5-dienoyl chloride (PubChem CID 91050419) has the molecular formula C7H6ClFO and a molecular weight of 160.57 g/mol. Its IUPAC name is 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride.

Molecular Properties

Compound Name5-fluoro-2-methylidenehexa-3,5-dienoyl chloride
PubChem CID91050419
Molecular FormulaC7H6ClFO
Molecular Weight160.57 g/mol
Exact Mass160.01
IUPAC Name5-fluoro-2-methylidenehexa-3,5-dienoyl chloride
SMILESC=C(F)C=CC(=C)C(=O)Cl
InChIInChI=1S/C7H6ClFO/c1-5(7(8)10)3-4-6(2)9/h3-4H,1-2H2
InChIKeyLFEWPACPJGSNKZ-UHFFFAOYSA-N
XLogP2.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.57
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride?
The IUPAC name of 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride (CID 91050419) is 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride.
What is the SMILES notation for 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride?
The canonical SMILES for 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride is C=C(F)C=CC(=C)C(=O)Cl.
What is the InChIKey of 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride?
The InChIKey is LFEWPACPJGSNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO/c1-5(7(8)10)3-4-6(2)9/h3-4H,1-2H2.
What are the key properties of 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride?
5-fluoro-2-methylidenehexa-3,5-dienoyl chloride has a molecular weight of 160.57 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylidenehexa-3,5-dienoyl chloride is sourced from PubChem (CID 91050419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).