1-chloro-4-fluorocyclohexa-1,3-diene

C6H6ClF — CID 23089703

IUPAC1-chloro-4-fluorocyclohexa-1,3-diene
SMILESFC1=CC=C(Cl)CC1
InChIInChI=1S/C6H6ClF/c7-5-1-3-6(8)4-2-5/h1,3H,2,4H2
InChIKeyZKFYIYSGWCSMLU-UHFFFAOYSA-N
MW132.56 g/mol
LogP2.76
Rot. Bonds

About 1-chloro-4-fluorocyclohexa-1,3-diene

1-chloro-4-fluorocyclohexa-1,3-diene (PubChem CID 23089703) has the molecular formula C6H6ClF and a molecular weight of 132.56 g/mol. Its IUPAC name is 1-chloro-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-4-fluorocyclohexa-1,3-diene
PubChem CID23089703
Molecular FormulaC6H6ClF
Molecular Weight132.56 g/mol
Exact Mass132.01
IUPAC Name1-chloro-4-fluorocyclohexa-1,3-diene
SMILESFC1=CC=C(Cl)CC1
InChIInChI=1S/C6H6ClF/c7-5-1-3-6(8)4-2-5/h1,3H,2,4H2
InChIKeyZKFYIYSGWCSMLU-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-chloro-4-fluorocyclohexa-1,3-diene (CID 23089703) is 1-chloro-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-4-fluorocyclohexa-1,3-diene is FC1=CC=C(Cl)CC1.
What is the InChIKey of 1-chloro-4-fluorocyclohexa-1,3-diene?
The InChIKey is ZKFYIYSGWCSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF/c7-5-1-3-6(8)4-2-5/h1,3H,2,4H2.
What are the key properties of 1-chloro-4-fluorocyclohexa-1,3-diene?
1-chloro-4-fluorocyclohexa-1,3-diene has a molecular weight of 132.56 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 23089703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).