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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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).