4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride

C7H4Cl2F2O — CID 122453517

IUPAC4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride
SMILESO=C(Cl)C1=C(F)CC(F)(Cl)C=C1
InChIInChI=1S/C7H4Cl2F2O/c8-6(12)4-1-2-7(9,11)3-5(4)10/h1-2H,3H2
InChIKeyGOEGAADWEYRWLL-UHFFFAOYSA-N
MW213.01 g/mol
LogP2.84
Rot. Bonds1

About 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride

4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride (PubChem CID 122453517) has the molecular formula C7H4Cl2F2O and a molecular weight of 213.01 g/mol. Its IUPAC name is 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride
PubChem CID122453517
Molecular FormulaC7H4Cl2F2O
Molecular Weight213.01 g/mol
Exact Mass211.96
IUPAC Name4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride
SMILESO=C(Cl)C1=C(F)CC(F)(Cl)C=C1
InChIInChI=1S/C7H4Cl2F2O/c8-6(12)4-1-2-7(9,11)3-5(4)10/h1-2H,3H2
InChIKeyGOEGAADWEYRWLL-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.01
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Difluorocyclohexa-1,5-diene-1-carbonyl chloride
CID 45081479
CID 89134439
CID 89134439
2-(1-Chloroethylidene)-3-fluoropent-3-enoyl chloride
CID 123339068
4-Fluorocyclohexa-1,5-diene-1-carbonyl chloride
CID 123543262
2-Fluorocyclohexa-1,5-diene-1-carbonyl chloride
CID 132059224
(2Z)-3-fluoro-2-(1-fluoroethenyl)penta-2,4-dienoyl chloride
CID 142155109
4-Chloro-4-fluorocyclohexa-1,5-diene-1-carbonyl chloride
CID 142649339
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
CID 142993979
2,7-Difluorocyclohepta-1,3,6-triene-1-carbonyl chloride
CID 143055002
2,5-Difluorocyclohexa-1,3-diene-1-carbonyl chloride
CID 144089545
(2Z)-2-ethenyl-3-fluoropenta-2,4-dienoyl chloride
CID 144338921
(2Z)-2-(1-chloroethenyl)-3-(trifluoromethyl)penta-2,4-dienoyl chloride
CID 144572451

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride?
The IUPAC name of 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride (CID 122453517) is 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride.
What is the SMILES notation for 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride?
The canonical SMILES for 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride is O=C(Cl)C1=C(F)CC(F)(Cl)C=C1.
What is the InChIKey of 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride?
The InChIKey is GOEGAADWEYRWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O/c8-6(12)4-1-2-7(9,11)3-5(4)10/h1-2H,3H2.
What are the key properties of 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride?
4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride has a molecular weight of 213.01 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,4-difluorocyclohexa-1,5-diene-1-carbonyl chloride is sourced from PubChem (CID 122453517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).