2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene

C8H6F6O — CID 89184922

IUPAC2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1=CCCC=C1C(F)(F)F
InChIInChI=1S/C8H6F6O/c9-7(10,11)5-3-1-2-4-6(5)15-8(12,13)14/h3-4H,1-2H2
InChIKeyFJMBUDBCRVJQFV-UHFFFAOYSA-N
MW232.12 g/mol
LogP3.69
Rot. Bonds1

About 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene

2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 89184922) has the molecular formula C8H6F6O and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID89184922
Molecular FormulaC8H6F6O
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Name2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)OC1=CCCC=C1C(F)(F)F
InChIInChI=1S/C8H6F6O/c9-7(10,11)5-3-1-2-4-6(5)15-8(12,13)14/h3-4H,1-2H2
InChIKeyFJMBUDBCRVJQFV-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene (CID 89184922) is 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)OC1=CCCC=C1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is FJMBUDBCRVJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6O/c9-7(10,11)5-3-1-2-4-6(5)15-8(12,13)14/h3-4H,1-2H2.
What are the key properties of 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene?
2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 232.12 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-3-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 89184922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).