5-chloro-1-fluorocyclohexa-1,3-diene

C6H6ClF — CID 18377253

IUPAC5-chloro-1-fluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(Cl)C1
InChIInChI=1S/C6H6ClF/c7-5-2-1-3-6(8)4-5/h1-3,5H,4H2
InChIKeyWUHGXUCVVIERMJ-UHFFFAOYSA-N
MW132.56 g/mol
LogP2.41
Rot. Bonds

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

5-chloro-1-fluorocyclohexa-1,3-diene (PubChem CID 18377253) has the molecular formula C6H6ClF and a molecular weight of 132.56 g/mol. Its IUPAC name is 5-chloro-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-chloro-1-fluorocyclohexa-1,3-diene
PubChem CID18377253
Molecular FormulaC6H6ClF
Molecular Weight132.56 g/mol
Exact Mass132.01
IUPAC Name5-chloro-1-fluorocyclohexa-1,3-diene
SMILESFC1=CC=CC(Cl)C1
InChIInChI=1S/C6H6ClF/c7-5-2-1-3-6(8)4-5/h1-3,5H,4H2
InChIKeyWUHGXUCVVIERMJ-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.56
LogP ≤ 52.41
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

(3E)-6-chloro-2-fluorohexa-1,3-diene
CID 134853874
5,6-Dichloro-1,3-cyclohexadiene
CID 443139
Dihydrochlorobenzene
CID 12091010
Methylene chlorobenzene
CID 54066459
5-Chloro-5,6,6-trifluoro-cyclohexa-1,3-diene
CID 6422850
6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
1,5-Dichloro-3-fluorocyclohexa-1,3-diene
CID 19695661
1-Chloro-2-fluorocyclohexa-1,3-diene
CID 20321633
1,5-Dichloro-5-fluorocyclohexa-1,3-diene
CID 21655639
5-Chloro-5-fluorocyclohexa-1,3-diene
CID 21844842
2-Chloro-1-fluorocyclohexa-1,3-diene
CID 21958886
6-Chloro-1,2,6-trifluorocyclohexa-1,3-diene
CID 21975987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-chloro-1-fluorocyclohexa-1,3-diene (CID 18377253) is 5-chloro-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-chloro-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-chloro-1-fluorocyclohexa-1,3-diene is FC1=CC=CC(Cl)C1.
What is the InChIKey of 5-chloro-1-fluorocyclohexa-1,3-diene?
The InChIKey is WUHGXUCVVIERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF/c7-5-2-1-3-6(8)4-5/h1-3,5H,4H2.
What are the key properties of 5-chloro-1-fluorocyclohexa-1,3-diene?
5-chloro-1-fluorocyclohexa-1,3-diene has a molecular weight of 132.56 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 18377253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).