1,5-bis(trifluoromethyl)cyclohexa-1,3-diene

C8H6F6 — CID 18446165

IUPAC1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC=CC(C(F)(F)F)C1
InChIInChI=1S/C8H6F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-3,5H,4H2
InChIKeyZJVYLFYBJWMOTN-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.61
Rot. Bonds

About 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene

1,5-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 18446165) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID18446165
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name1,5-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC=CC(C(F)(F)F)C1
InChIInChI=1S/C8H6F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-3,5H,4H2
InChIKeyZJVYLFYBJWMOTN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)octa-1,3-diene
CID 91972108
6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)-1,3-octadiene
CID 122360969
1,2,2-Trifluorostyrene
CID 22119355
1,3-Bis(trifluoromethyl)cyclohexa-1,4-diene
CID 57208563
2-Methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641387
1-Methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 14641388
1-Trifluoro-methyl-5,5,6-trifluoro-1,3-cyclohexadiene
CID 129690487
2-Tri-fluoromethyl-5,6,6-trifluoro-1,3-cyclohexadiene
CID 129690488
3,3,6,6-Tetrafluoro-1-(2,2,2-trifluoroethyl)-1,4-cyclohexadiene
CID 129738594
(2Z,4E)-9,10-bis(difluoromethylidene)bicyclo[4.2.2]deca-2,4,7-triene
CID 134942847
Zqvfkqsceklvrn-uhfffaoysa-
CID 23264815
Trifluoromethylcyclohexa-3,5-diene
CID 13523074

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 18446165) is 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CC=CC(C(F)(F)F)C1.
What is the InChIKey of 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is ZJVYLFYBJWMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-3,5H,4H2.
What are the key properties of 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene?
1,5-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 216.12 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 18446165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).