5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene

C9H4F6 — CID 23233729

IUPAC5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene
SMILESC=CC1=CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C9H4F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2-3H,1H2
InChIKeyUDGFEZJYHHNUCX-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.33
Rot. Bonds1

About 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene

5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene (PubChem CID 23233729) has the molecular formula C9H4F6 and a molecular weight of 226.12 g/mol. Its IUPAC name is 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene
PubChem CID23233729
Molecular FormulaC9H4F6
Molecular Weight226.12 g/mol
Exact Mass226.02
IUPAC Name5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene
SMILESC=CC1=CC2(F)C(F)=C(F)C1(F)C2(F)F
InChIInChI=1S/C9H4F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2-3H,1H2
InChIKeyUDGFEZJYHHNUCX-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
Octafluoroindene
CID 129663762
5,6-Bis(trifluoromethyl)norbornadiene
CID 129694511
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
Zqvfkqsceklvrn-uhfffaoysa-
CID 23264815
1,5-Bis(trifluoromethyl)cyclohexa-1,3-diene
CID 18446165
1,2-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 21675336
1-(1,1,2,2,2-Pentafluoroethyl)cyclohexa-1,3-diene
CID 22599763
2-(Trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 23268650
6-Propyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70308397
2-Methyl-1-propan-2-yl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 70989541
5-(2,2-Difluoroethenyl)-5-fluoro-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 88429916

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene (CID 23233729) is 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene is C=CC1=CC2(F)C(F)=C(F)C1(F)C2(F)F.
What is the InChIKey of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is UDGFEZJYHHNUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6/c1-2-4-3-7(12)5(10)6(11)8(4,13)9(7,14)15/h2-3H,1H2.
What are the key properties of 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene?
5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 226.12 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3,4,7,7-hexafluorobicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 23233729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).