2-chloro-3-fluorocyclohexa-1,3-diene

C6H6ClF — CID 22076051

IUPAC2-chloro-3-fluorocyclohexa-1,3-diene
SMILESFC1=CCCC=C1Cl
InChIInChI=1S/C6H6ClF/c7-5-3-1-2-4-6(5)8/h3-4H,1-2H2
InChIKeyYHGZXWCCJJYBRI-UHFFFAOYSA-N
MW132.56 g/mol
LogP2.76
Rot. Bonds

About 2-chloro-3-fluorocyclohexa-1,3-diene

2-chloro-3-fluorocyclohexa-1,3-diene (PubChem CID 22076051) has the molecular formula C6H6ClF and a molecular weight of 132.56 g/mol. Its IUPAC name is 2-chloro-3-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-3-fluorocyclohexa-1,3-diene
PubChem CID22076051
Molecular FormulaC6H6ClF
Molecular Weight132.56 g/mol
Exact Mass132.01
IUPAC Name2-chloro-3-fluorocyclohexa-1,3-diene
SMILESFC1=CCCC=C1Cl
InChIInChI=1S/C6H6ClF/c7-5-3-1-2-4-6(5)8/h3-4H,1-2H2
InChIKeyYHGZXWCCJJYBRI-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 2-chloro-3-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-chloro-3-fluorocyclohexa-1,3-diene (CID 22076051) is 2-chloro-3-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-3-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-3-fluorocyclohexa-1,3-diene is FC1=CCCC=C1Cl.
What is the InChIKey of 2-chloro-3-fluorocyclohexa-1,3-diene?
The InChIKey is YHGZXWCCJJYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF/c7-5-3-1-2-4-6(5)8/h3-4H,1-2H2.
What are the key properties of 2-chloro-3-fluorocyclohexa-1,3-diene?
2-chloro-3-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 2-chloro-3-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 22076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).