5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene

C11H10F6 — CID 88712041

IUPAC5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene
SMILESCC1C2=C(C(F)(F)F)C(C(F)(F)F)=C(C2)C1C
InChIInChI=1S/C11H10F6/c1-4-5(2)7-3-6(4)8(10(12,13)14)9(7)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyUDWQVDFDHVXHJS-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.39
Rot. Bonds

About 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene

5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene (PubChem CID 88712041) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene.

Molecular Properties

Compound Name5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene
PubChem CID88712041
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene
SMILESCC1C2=C(C(F)(F)F)C(C(F)(F)F)=C(C2)C1C
InChIInChI=1S/C11H10F6/c1-4-5(2)7-3-6(4)8(10(12,13)14)9(7)11(15,16)17/h4-5H,3H2,1-2H3
InChIKeyUDWQVDFDHVXHJS-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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene?
The IUPAC name of 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene (CID 88712041) is 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene.
What is the SMILES notation for 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene?
The canonical SMILES for 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene is CC1C2=C(C(F)(F)F)C(C(F)(F)F)=C(C2)C1C.
What is the InChIKey of 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene?
The InChIKey is UDWQVDFDHVXHJS-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/h4-5H,3H2,1-2H3.
What are the key properties of 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene?
5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-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 5,6-dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene is sourced from PubChem (CID 88712041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).