1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene

C7H4F6 — CID 129690487

IUPAC5,5,6-trifluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC1=CC(C(C(=C1)C(F)(F)F)F)(F)F
InChIInChI=1S/C7H4F6/c8-5-4(7(11,12)13)2-1-3-6(5,9)10/h1-3,5H
InChIKeyUTQFDNMKVIQICQ-UHFFFAOYSA-N
MW202.10 g/mol
LogP2.70
Rot. Bonds

About 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene

1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene (PubChem CID 129690487) has the molecular formula C7H4F6 and a molecular weight of 202.10 g/mol. Its IUPAC name is 5,5,6-trifluoro-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene
PubChem CID129690487
Molecular FormulaC7H4F6
Molecular Weight202.10 g/mol
Exact Mass202.02
IUPAC Name5,5,6-trifluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESC1=CC(C(C(=C1)C(F)(F)F)F)(F)F
InChIInChI=1S/C7H4F6/c8-5-4(7(11,12)13)2-1-3-6(5,9)10/h1-3,5H
InChIKeyUTQFDNMKVIQICQ-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity259

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cyclobutene, 1-ethenyl-2,3,3-trifluoro-
CID 640496
5,5,6,6-Tetrafluoro-1,3-cyclohexadiene
CID 12676459
1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
Lithium 2-(trifluoromethyl)benzen-1-ide
CID 12434981
CID 15580181
CID 15580181
Trifluorovinylcyclobutene
CID 87961377
Potassium 1-fluoro-4-(trifluoromethyl)benzene-6-ide
CID 135081277
1-Methyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22171100
1-(Trifluoromethyl)cyclohexa-1,4-diene
CID 23268595
2,5,5,6,6-Pentafluoro-1,3-cyclohexadiene
CID 101924370

Frequently Asked Questions

What is the IUPAC name of 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene?
The IUPAC name of 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene (CID 129690487) is 5,5,6-trifluoro-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene?
The canonical SMILES for 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene is C1=CC(C(C(=C1)C(F)(F)F)F)(F)F.
What is the InChIKey of 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene?
The InChIKey is UTQFDNMKVIQICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6/c8-5-4(7(11,12)13)2-1-3-6(5,9)10/h1-3,5H.
What are the key properties of 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene?
1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene has a molecular weight of 202.10 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene is sourced from PubChem (CID 129690487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).