1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene

C7H3F7 — CID 22096562

IUPAC1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(C(F)(F)F)=C(F)C(F)C1
InChIInChI=1S/C7H3F7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h2H,1H2
InChIKeyNZDQPCHPYQSXEM-UHFFFAOYSA-N
MW220.09 g/mol
LogP3.66
Rot. Bonds

About 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene

1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 22096562) has the molecular formula C7H3F7 and a molecular weight of 220.09 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID22096562
Molecular FormulaC7H3F7
Molecular Weight220.09 g/mol
Exact Mass220.01
IUPAC Name1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC1=C(F)C(C(F)(F)F)=C(F)C(F)C1
InChIInChI=1S/C7H3F7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h2H,1H2
InChIKeyNZDQPCHPYQSXEM-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.09
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene (CID 22096562) is 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene is FC1=C(F)C(C(F)(F)F)=C(F)C(F)C1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is NZDQPCHPYQSXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h2H,1H2.
What are the key properties of 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 220.09 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 22096562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).