2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene

C15H14F6 — CID 22140571

IUPAC2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
SMILESFC(F)(F)C(C1=CCCC=C1)(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C15H14F6/c16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,5,7-10H,1-2,4,6H2
InChIKeySORZPJBQNIRQNW-UHFFFAOYSA-N
MW308.27 g/mol
LogP5.65
Rot. Bonds2

About 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene

2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene (PubChem CID 22140571) has the molecular formula C15H14F6 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
PubChem CID22140571
Molecular FormulaC15H14F6
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC Name2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene
SMILESFC(F)(F)C(C1=CCCC=C1)(C1=CCCC=C1)C(F)(F)F
InChIInChI=1S/C15H14F6/c16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,5,7-10H,1-2,4,6H2
InChIKeySORZPJBQNIRQNW-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.27
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene (CID 22140571) is 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene is FC(F)(F)C(C1=CCCC=C1)(C1=CCCC=C1)C(F)(F)F.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene?
The InChIKey is SORZPJBQNIRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6/c16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3,5,7-10H,1-2,4,6H2.
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene?
2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene has a molecular weight of 308.27 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexa-1,3-diene is sourced from PubChem (CID 22140571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).