2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

C9H8F4 — CID 162536193

IUPAC2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C1=C(C(F)F)C2C=CC1C2
InChIInChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5,8-9H,3H2
InChIKeyLKSHLXPUIZNLLK-UHFFFAOYSA-N
MW192.16 g/mol
LogP3.02
Rot. Bonds2

About 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 162536193) has the molecular formula C9H8F4 and a molecular weight of 192.16 g/mol. Its IUPAC name is 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID162536193
Molecular FormulaC9H8F4
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESFC(F)C1=C(C(F)F)C2C=CC1C2
InChIInChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5,8-9H,3H2
InChIKeyLKSHLXPUIZNLLK-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 53.02
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 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 162536193) is 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is FC(F)C1=C(C(F)F)C2C=CC1C2.
What is the InChIKey of 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is LKSHLXPUIZNLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5,8-9H,3H2.
What are the key properties of 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 192.16 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 162536193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).