1,3-difluorocyclohexa-1,4-diene

C6H6F2 — CID 57158402

IUPAC1,3-difluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C=CC1
InChIInChI=1S/C6H6F2/c7-5-2-1-3-6(8)4-5/h1-2,4-5H,3H2
InChIKeyQJLBYXBMOFDVCY-UHFFFAOYSA-N
MW116.11 g/mol
LogP2.14
Rot. Bonds

About 1,3-difluorocyclohexa-1,4-diene

1,3-difluorocyclohexa-1,4-diene (PubChem CID 57158402) has the molecular formula C6H6F2 and a molecular weight of 116.11 g/mol. Its IUPAC name is 1,3-difluorocyclohexa-1,4-diene.

Molecular Properties

Compound Name1,3-difluorocyclohexa-1,4-diene
PubChem CID57158402
Molecular FormulaC6H6F2
Molecular Weight116.11 g/mol
Exact Mass116.04
IUPAC Name1,3-difluorocyclohexa-1,4-diene
SMILESFC1=CC(F)C=CC1
InChIInChI=1S/C6H6F2/c7-5-2-1-3-6(8)4-5/h1-2,4-5H,3H2
InChIKeyQJLBYXBMOFDVCY-UHFFFAOYSA-N
XLogP2.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.11
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluorocyclohexa-1,4-diene?
The IUPAC name of 1,3-difluorocyclohexa-1,4-diene (CID 57158402) is 1,3-difluorocyclohexa-1,4-diene.
What is the SMILES notation for 1,3-difluorocyclohexa-1,4-diene?
The canonical SMILES for 1,3-difluorocyclohexa-1,4-diene is FC1=CC(F)C=CC1.
What is the InChIKey of 1,3-difluorocyclohexa-1,4-diene?
The InChIKey is QJLBYXBMOFDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2/c7-5-2-1-3-6(8)4-5/h1-2,4-5H,3H2.
What are the key properties of 1,3-difluorocyclohexa-1,4-diene?
1,3-difluorocyclohexa-1,4-diene has a molecular weight of 116.11 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluorocyclohexa-1,4-diene is sourced from PubChem (CID 57158402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).