1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene

C7F10 — CID 12697774

IUPAC1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
SMILESFC1=C(F)C(F)(F)C(C(F)(F)F)=C(F)C1(F)F
InChIInChI=1S/C7F10/c8-2-1(7(15,16)17)5(11,12)3(9)4(10)6(2,13)14
InChIKeyVHSUBZSYLNJXLY-UHFFFAOYSA-N
MW274.06 g/mol
LogP4.21
Rot. Bonds

About 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene

1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene (PubChem CID 12697774) has the molecular formula C7F10 and a molecular weight of 274.06 g/mol. Its IUPAC name is 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene.

Molecular Properties

Compound Name1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
PubChem CID12697774
Molecular FormulaC7F10
Molecular Weight274.06 g/mol
Exact Mass273.98
IUPAC Name1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene
SMILESFC1=C(F)C(F)(F)C(C(F)(F)F)=C(F)C1(F)F
InChIInChI=1S/C7F10/c8-2-1(7(15,16)17)5(11,12)3(9)4(10)6(2,13)14
InChIKeyVHSUBZSYLNJXLY-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene?
The IUPAC name of 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene (CID 12697774) is 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene.
What is the SMILES notation for 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene?
The canonical SMILES for 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene is FC1=C(F)C(F)(F)C(C(F)(F)F)=C(F)C1(F)F.
What is the InChIKey of 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene?
The InChIKey is VHSUBZSYLNJXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F10/c8-2-1(7(15,16)17)5(11,12)3(9)4(10)6(2,13)14.
What are the key properties of 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene?
1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene has a molecular weight of 274.06 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,6,6-heptafluoro-5-(trifluoromethyl)cyclohexa-1,4-diene is sourced from PubChem (CID 12697774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).