5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene

C8H7F3 — CID 22119355

IUPAC5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene
SMILESC=CC1(F)C=CC=CC1(F)F
InChIInChI=1S/C8H7F3/c1-2-7(9)5-3-4-6-8(7,10)11/h2-6H,1H2
InChIKeyGCTYSZBOAURZCV-UHFFFAOYSA-N
MW160.14 g/mol
LogP2.64
Rot. Bonds1

About 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene

5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene (PubChem CID 22119355) has the molecular formula C8H7F3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene
PubChem CID22119355
Molecular FormulaC8H7F3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene
SMILESC=CC1(F)C=CC=CC1(F)F
InChIInChI=1S/C8H7F3/c1-2-7(9)5-3-4-6-8(7,10)11/h2-6H,1H2
InChIKeyGCTYSZBOAURZCV-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 52.64
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 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene (CID 22119355) is 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene is C=CC1(F)C=CC=CC1(F)F.
What is the InChIKey of 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene?
The InChIKey is GCTYSZBOAURZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3/c1-2-7(9)5-3-4-6-8(7,10)11/h2-6H,1H2.
What are the key properties of 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene?
5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene has a molecular weight of 160.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5,6,6-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 22119355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).