(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride

C7H5ClF2O — CID 142155109

IUPAC(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
SMILESC=C/C(F)=C(\C(=C)F)C(=O)Cl
InChIInChI=1S/C7H5ClF2O/c1-3-5(10)6(4(2)9)7(8)11/h3H,1-2H2/b6-5-
InChIKeyVGOVCRKDQXGOLL-WAYWQWQTSA-N
MW178.56 g/mol
LogP2.64
Rot. Bonds3

About (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride

(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride (PubChem CID 142155109) has the molecular formula C7H5ClF2O and a molecular weight of 178.56 g/mol. Its IUPAC name is (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
PubChem CID142155109
Molecular FormulaC7H5ClF2O
Molecular Weight178.56 g/mol
Exact Mass178.00
IUPAC Name(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
SMILESC=C/C(F)=C(\C(=C)F)C(=O)Cl
InChIInChI=1S/C7H5ClF2O/c1-3-5(10)6(4(2)9)7(8)11/h3H,1-2H2/b6-5-
InChIKeyVGOVCRKDQXGOLL-WAYWQWQTSA-N
XLogP2.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.56
LogP ≤ 52.64
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 (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride?
The IUPAC name of (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride (CID 142155109) is (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride.
What is the SMILES notation for (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride?
The canonical SMILES for (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride is C=C/C(F)=C(\C(=C)F)C(=O)Cl.
What is the InChIKey of (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride?
The InChIKey is VGOVCRKDQXGOLL-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H5ClF2O/c1-3-5(10)6(4(2)9)7(8)11/h3H,1-2H2/b6-5-.
What are the key properties of (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride?
(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride has a molecular weight of 178.56 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride is sourced from PubChem (CID 142155109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).