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

C6H5F3 — CID 22125476

IUPAC5,5,6-trifluorocyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)F
InChIInChI=1S/C6H5F3/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyOJIHFKDYFJNCCP-UHFFFAOYSA-N
MW134.10 g/mol
LogP2.09
Rot. Bonds

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

5,5,6-trifluorocyclohexa-1,3-diene (PubChem CID 22125476) has the molecular formula C6H5F3 and a molecular weight of 134.10 g/mol. Its IUPAC name is 5,5,6-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5,5,6-trifluorocyclohexa-1,3-diene
PubChem CID22125476
Molecular FormulaC6H5F3
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name5,5,6-trifluorocyclohexa-1,3-diene
SMILESFC1C=CC=CC1(F)F
InChIInChI=1S/C6H5F3/c7-5-3-1-2-4-6(5,8)9/h1-5H
InChIKeyOJIHFKDYFJNCCP-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,6-trifluorocyclohexa-1,3-diene?
The IUPAC name of 5,5,6-trifluorocyclohexa-1,3-diene (CID 22125476) is 5,5,6-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 5,5,6-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 5,5,6-trifluorocyclohexa-1,3-diene is FC1C=CC=CC1(F)F.
What is the InChIKey of 5,5,6-trifluorocyclohexa-1,3-diene?
The InChIKey is OJIHFKDYFJNCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3/c7-5-3-1-2-4-6(5,8)9/h1-5H.
What are the key properties of 5,5,6-trifluorocyclohexa-1,3-diene?
5,5,6-trifluorocyclohexa-1,3-diene has a molecular weight of 134.10 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 22125476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).