2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

C11H10F6 — CID 71406257

IUPAC2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=C(C)C2CC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C11H10F6/c1-4-5(2)7-3-6(4)8(10(12,13)14)9(7)11(15,16)17/h6-7H,3H2,1-2H3
InChIKeyVRZZIQLMYMCVTM-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.39
Rot. Bonds

About 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene

2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (PubChem CID 71406257) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
PubChem CID71406257
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
SMILESCC1=C(C)C2CC1C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C11H10F6/c1-4-5(2)7-3-6(4)8(10(12,13)14)9(7)11(15,16)17/h6-7H,3H2,1-2H3
InChIKeyVRZZIQLMYMCVTM-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.39
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-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene (CID 71406257) is 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is CC1=C(C)C2CC1C(C(F)(F)F)=C2C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is VRZZIQLMYMCVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-4-5(2)7-3-6(4)8(10(12,13)14)9(7)11(15,16)17/h6-7H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene?
2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 256.19 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 71406257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).