8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene

C13H8F8 — CID 175115242

IUPAC8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene
SMILESFC1=C(F)C(F)C2(F)C(=C1F)C(F)(C1=CCCC1)C2(F)F
InChIInChI=1S/C13H8F8/c14-6-7(15)9-11(18,5-3-1-2-4-5)13(20,21)12(9,19)10(17)8(6)16/h3,10H,1-2,4H2
InChIKeyXCNGLQCDMHRKCP-UHFFFAOYSA-N
MW316.19 g/mol
LogP4.89
Rot. Bonds1

About 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene

8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene (PubChem CID 175115242) has the molecular formula C13H8F8 and a molecular weight of 316.19 g/mol. Its IUPAC name is 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene.

Molecular Properties

Compound Name8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene
PubChem CID175115242
Molecular FormulaC13H8F8
Molecular Weight316.19 g/mol
Exact Mass316.05
IUPAC Name8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene
SMILESFC1=C(F)C(F)C2(F)C(=C1F)C(F)(C1=CCCC1)C2(F)F
InChIInChI=1S/C13H8F8/c14-6-7(15)9-11(18,5-3-1-2-4-5)13(20,21)12(9,19)10(17)8(6)16/h3,10H,1-2,4H2
InChIKeyXCNGLQCDMHRKCP-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene?
The IUPAC name of 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene (CID 175115242) is 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene.
What is the SMILES notation for 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene?
The canonical SMILES for 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene is FC1=C(F)C(F)C2(F)C(=C1F)C(F)(C1=CCCC1)C2(F)F.
What is the InChIKey of 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene?
The InChIKey is XCNGLQCDMHRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F8/c14-6-7(15)9-11(18,5-3-1-2-4-5)13(20,21)12(9,19)10(17)8(6)16/h3,10H,1-2,4H2.
What are the key properties of 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene?
8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene has a molecular weight of 316.19 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopenten-1-yl)-2,3,4,5,6,7,7,8-octafluorobicyclo[4.2.0]octa-1,3-diene is sourced from PubChem (CID 175115242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).