(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride

C8H7ClF2O — CID 143208579

IUPAC(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride
SMILESC=C(F)/C=C(\C=C(/C)F)C(=O)Cl
InChIInChI=1S/C8H7ClF2O/c1-5(10)3-7(8(9)12)4-6(2)11/h3-4H,1H2,2H3/b6-4+,7-3+
InChIKeyUFYNCMLFNHTOFO-DVFLZCIWSA-N
MW192.59 g/mol
LogP3.03
Rot. Bonds3

About (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride

(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride (PubChem CID 143208579) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride
PubChem CID143208579
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride
SMILESC=C(F)/C=C(\C=C(/C)F)C(=O)Cl
InChIInChI=1S/C8H7ClF2O/c1-5(10)3-7(8(9)12)4-6(2)11/h3-4H,1H2,2H3/b6-4+,7-3+
InChIKeyUFYNCMLFNHTOFO-DVFLZCIWSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.03
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)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride?
The IUPAC name of (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride (CID 143208579) is (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride.
What is the SMILES notation for (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride?
The canonical SMILES for (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride is C=C(F)/C=C(\C=C(/C)F)C(=O)Cl.
What is the InChIKey of (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride?
The InChIKey is UFYNCMLFNHTOFO-DVFLZCIWSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-5(10)3-7(8(9)12)4-6(2)11/h3-4H,1H2,2H3/b6-4+,7-3+.
What are the key properties of (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride?
(2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride has a molecular weight of 192.59 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-2-[(E)-2-fluoroprop-1-enyl]penta-2,4-dienoyl chloride is sourced from PubChem (CID 143208579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).