5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene

C7H6Cl2F2 — CID 135378994

IUPAC5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=C(CCl)C=CC(F)(Cl)C1
InChIInChI=1S/C7H6Cl2F2/c8-4-5-1-2-7(9,11)3-6(5)10/h1-2H,3-4H2
InChIKeyIGRQLROCYOHBDF-UHFFFAOYSA-N
MW199.03 g/mol
LogP3.31
Rot. Bonds1

About 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene

5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene (PubChem CID 135378994) has the molecular formula C7H6Cl2F2 and a molecular weight of 199.03 g/mol. Its IUPAC name is 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene
PubChem CID135378994
Molecular FormulaC7H6Cl2F2
Molecular Weight199.03 g/mol
Exact Mass197.98
IUPAC Name5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=C(CCl)C=CC(F)(Cl)C1
InChIInChI=1S/C7H6Cl2F2/c8-4-5-1-2-7(9,11)3-6(5)10/h1-2H,3-4H2
InChIKeyIGRQLROCYOHBDF-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Methylene chlorobenzene
CID 54066459
5-Chloro-1-fluorocyclohexa-1,3-diene
CID 18377253
6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
5,6-Dichloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 20570461
1,5-Dichloro-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21290733
1,3-Dichloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 21612185
5-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22498002
5,6-Dichloro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 67727418
6-Chloro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 69024764
6-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 89049594
5-Chloro-1,3-difluoro-2-methylcyclohexa-1,3-diene
CID 89093943
6-Chloro-2-fluorocyclohexa-1,3-diene
CID 89136239

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene (CID 135378994) is 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene is FC1=C(CCl)C=CC(F)(Cl)C1.
What is the InChIKey of 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene?
The InChIKey is IGRQLROCYOHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2/c8-4-5-1-2-7(9,11)3-6(5)10/h1-2H,3-4H2.
What are the key properties of 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene?
5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene has a molecular weight of 199.03 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(chloromethyl)-1,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 135378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).