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

C8H6F6 — CID 22021708

IUPAC2,3-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C8H6F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h3-4H,1-2H2
InChIKeyWHFQFZYAUZQDOQ-UHFFFAOYSA-N
MW216.12 g/mol
LogP3.76
Rot. Bonds

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

2,3-bis(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 22021708) has the molecular formula C8H6F6 and a molecular weight of 216.12 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID22021708
Molecular FormulaC8H6F6
Molecular Weight216.12 g/mol
Exact Mass216.04
IUPAC Name2,3-bis(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CCCC=C1C(F)(F)F
InChIInChI=1S/C8H6F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h3-4H,1-2H2
InChIKeyWHFQFZYAUZQDOQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene (CID 22021708) is 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CCCC=C1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is WHFQFZYAUZQDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14/h3-4H,1-2H2.
What are the key properties of 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene?
2,3-bis(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 216.12 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 22021708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).