1,2,6-trifluorocyclohexa-1,3-diene

C6H5F3 — CID 66828021

IUPAC1,2,6-trifluorocyclohexa-1,3-diene
SMILESFC1=C(F)C(F)CC=C1
InChIInChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h1-2,5H,3H2
InChIKeyNAGJUWFGDVFWAN-UHFFFAOYSA-N
MW134.10 g/mol
LogP2.43
Rot. Bonds

About 1,2,6-trifluorocyclohexa-1,3-diene

1,2,6-trifluorocyclohexa-1,3-diene (PubChem CID 66828021) has the molecular formula C6H5F3 and a molecular weight of 134.10 g/mol. Its IUPAC name is 1,2,6-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,6-trifluorocyclohexa-1,3-diene
PubChem CID66828021
Molecular FormulaC6H5F3
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name1,2,6-trifluorocyclohexa-1,3-diene
SMILESFC1=C(F)C(F)CC=C1
InChIInChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h1-2,5H,3H2
InChIKeyNAGJUWFGDVFWAN-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,5,6,6-Tetrafluoro-1,3-cyclohexadiene
CID 12676459
cis-3,6-Difluorocyclohexa-1,4-diene
CID 12676453
5-Fluorocyclohexa-1,3-diene
CID 13594374
Trifluorocyclohexadiene
CID 19695671
1-Fluorocyclohexa-1,3-diene
CID 21439206
Difluorocyclohexadiene
CID 22020522
5-Fluoro-fluorocyclohexadiene
CID 22076024
1,2,2-Trifluorostyrene
CID 22119355
Fluoroheptadiene
CID 129760108
Trifluoroethylvinylethen
CID 129821823
(3E)-2-fluoro-1,3-heptadiene
CID 15209488
1,3-Cyclopentadiene, 5,5-difluoro-
CID 10034589

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trifluorocyclohexa-1,3-diene?
The IUPAC name of 1,2,6-trifluorocyclohexa-1,3-diene (CID 66828021) is 1,2,6-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 1,2,6-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 1,2,6-trifluorocyclohexa-1,3-diene is FC1=C(F)C(F)CC=C1.
What is the InChIKey of 1,2,6-trifluorocyclohexa-1,3-diene?
The InChIKey is NAGJUWFGDVFWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h1-2,5H,3H2.
What are the key properties of 1,2,6-trifluorocyclohexa-1,3-diene?
1,2,6-trifluorocyclohexa-1,3-diene has a molecular weight of 134.10 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 66828021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).