5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

C9H6F8 — CID 15759017

IUPAC5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H6F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h1-2,4-5H,3H2
InChIKeyPQHHGTDOGKMDGU-UHFFFAOYSA-N
MW266.13 g/mol
LogP3.73
Rot. Bonds

About 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene

5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 15759017) has the molecular formula C9H6F8 and a molecular weight of 266.13 g/mol. Its IUPAC name is 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID15759017
Molecular FormulaC9H6F8
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
SMILESFC(F)(F)C1(F)C2C=CC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H6F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h1-2,4-5H,3H2
InChIKeyPQHHGTDOGKMDGU-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 53.73
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 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene (CID 15759017) is 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is FC(F)(F)C1(F)C2C=CC(C2)C1(F)C(F)(F)F.
What is the InChIKey of 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is PQHHGTDOGKMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h1-2,4-5H,3H2.
What are the key properties of 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene?
5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 266.13 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 15759017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).