5-chloro-1,5-difluorocyclohexa-1,3-diene

C6H5ClF2 — CID 67677257

IUPAC5-chloro-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(Cl)C1
InChIInChI=1S/C6H5ClF2/c7-6(9)3-1-2-5(8)4-6/h1-3H,4H2
InChIKeyXZHXGBXDOSDINO-UHFFFAOYSA-N
MW150.56 g/mol
LogP2.70
Rot. Bonds

About 5-chloro-1,5-difluorocyclohexa-1,3-diene

5-chloro-1,5-difluorocyclohexa-1,3-diene (PubChem CID 67677257) has the molecular formula C6H5ClF2 and a molecular weight of 150.56 g/mol. Its IUPAC name is 5-chloro-1,5-difluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-1,5-difluorocyclohexa-1,3-diene
PubChem CID67677257
Molecular FormulaC6H5ClF2
Molecular Weight150.56 g/mol
Exact Mass150.00
IUPAC Name5-chloro-1,5-difluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(F)(Cl)C1
InChIInChI=1S/C6H5ClF2/c7-6(9)3-1-2-5(8)4-6/h1-3H,4H2
InChIKeyXZHXGBXDOSDINO-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 52.70
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

Difluorocyclohexadiene
CID 22020522
5-Fluoro-fluorocyclohexadiene
CID 22076024
2-Chlorocyclohexa-1,3-diene
CID 12856519
5-Chloro-5,6,6-trifluoro-cyclohexa-1,3-diene
CID 6422850
3-Chloro-1,5-difluorocyclohexa-1,3-diene
CID 17949369
5-Chloro-1-fluorocyclohexa-1,3-diene
CID 18377253
3-Chloro-1,3-difluorocyclohexa-1,4-diene
CID 18407271
1,6-Difluorocyclohexa-1,3-diene
CID 18457036
6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
1,5,6-Trifluorocyclohexa-1,3-diene
CID 18477523
3-Chloro-1,3,6-trifluorocyclohexa-1,4-diene
CID 18984030
1,2,5-Trifluorocyclohexa-1,3-diene
CID 19693506

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,5-difluorocyclohexa-1,3-diene?
The IUPAC name of 5-chloro-1,5-difluorocyclohexa-1,3-diene (CID 67677257) is 5-chloro-1,5-difluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-1,5-difluorocyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-1,5-difluorocyclohexa-1,3-diene is FC1=CC=CC(F)(Cl)C1.
What is the InChIKey of 5-chloro-1,5-difluorocyclohexa-1,3-diene?
The InChIKey is XZHXGBXDOSDINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2/c7-6(9)3-1-2-5(8)4-6/h1-3H,4H2.
What are the key properties of 5-chloro-1,5-difluorocyclohexa-1,3-diene?
5-chloro-1,5-difluorocyclohexa-1,3-diene has a molecular weight of 150.56 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,5-difluorocyclohexa-1,3-diene is sourced from PubChem (CID 67677257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).