2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride

C7H7Cl2FO — CID 123339068

IUPAC2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride
SMILESCC=C(F)C(C(=O)Cl)=C(C)Cl
InChIInChI=1S/C7H7Cl2FO/c1-3-5(10)6(4(2)8)7(9)11/h3H,1-2H3
InChIKeyKUIMAHIZISVWDE-UHFFFAOYSA-N
MW197.04 g/mol
LogP3.14
Rot. Bonds2

About 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride

2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride (PubChem CID 123339068) has the molecular formula C7H7Cl2FO and a molecular weight of 197.04 g/mol. Its IUPAC name is 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride.

Molecular Properties

Compound Name2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride
PubChem CID123339068
Molecular FormulaC7H7Cl2FO
Molecular Weight197.04 g/mol
Exact Mass195.99
IUPAC Name2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride
SMILESCC=C(F)C(C(=O)Cl)=C(C)Cl
InChIInChI=1S/C7H7Cl2FO/c1-3-5(10)6(4(2)8)7(9)11/h3H,1-2H3
InChIKeyKUIMAHIZISVWDE-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 53.14
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 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride?
The IUPAC name of 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride (CID 123339068) is 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride.
What is the SMILES notation for 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride?
The canonical SMILES for 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride is CC=C(F)C(C(=O)Cl)=C(C)Cl.
What is the InChIKey of 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride?
The InChIKey is KUIMAHIZISVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2FO/c1-3-5(10)6(4(2)8)7(9)11/h3H,1-2H3.
What are the key properties of 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride?
2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride has a molecular weight of 197.04 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethylidene)-3-fluoropent-3-enoyl chloride is sourced from PubChem (CID 123339068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).