(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride

C8H8ClFO — CID 144590374

IUPAC(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride
SMILESC=C/C(C)=C(\C(=C)F)C(=O)Cl
InChIInChI=1S/C8H8ClFO/c1-4-5(2)7(6(3)10)8(9)11/h4H,1,3H2,2H3/b7-5+
InChIKeyUFKWTLNHMCFLKU-FNORWQNLSA-N
MW174.60 g/mol
LogP2.74
Rot. Bonds3

About (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride

(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride (PubChem CID 144590374) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride
PubChem CID144590374
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride
SMILESC=C/C(C)=C(\C(=C)F)C(=O)Cl
InChIInChI=1S/C8H8ClFO/c1-4-5(2)7(6(3)10)8(9)11/h4H,1,3H2,2H3/b7-5+
InChIKeyUFKWTLNHMCFLKU-FNORWQNLSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.74
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 (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride?
The IUPAC name of (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride (CID 144590374) is (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride.
What is the SMILES notation for (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride?
The canonical SMILES for (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride is C=C/C(C)=C(\C(=C)F)C(=O)Cl.
What is the InChIKey of (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride?
The InChIKey is UFKWTLNHMCFLKU-FNORWQNLSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-4-5(2)7(6(3)10)8(9)11/h4H,1,3H2,2H3/b7-5+.
What are the key properties of (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride?
(2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride has a molecular weight of 174.60 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-fluoroethenyl)-3-methylpenta-2,4-dienoyl chloride is sourced from PubChem (CID 144590374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).