2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane

C10H15F3 — CID 59480781

IUPAC2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane
SMILESCC12CCC(C)(CC1)C(F)(F)C2F
InChIInChI=1S/C10H15F3/c1-8-3-5-9(2,6-4-8)10(12,13)7(8)11/h7H,3-6H2,1-2H3
InChIKeyVYNSWEGSIOQWPV-UHFFFAOYSA-N
MW192.22 g/mol
LogP3.56
Rot. Bonds

About 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane

2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane (PubChem CID 59480781) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane
PubChem CID59480781
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane
SMILESCC12CCC(C)(CC1)C(F)(F)C2F
InChIInChI=1S/C10H15F3/c1-8-3-5-9(2,6-4-8)10(12,13)7(8)11/h7H,3-6H2,1-2H3
InChIKeyVYNSWEGSIOQWPV-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane?
The IUPAC name of 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane (CID 59480781) is 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane.
What is the SMILES notation for 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane?
The canonical SMILES for 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane is CC12CCC(C)(CC1)C(F)(F)C2F.
What is the InChIKey of 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane?
The InChIKey is VYNSWEGSIOQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-8-3-5-9(2,6-4-8)10(12,13)7(8)11/h7H,3-6H2,1-2H3.
What are the key properties of 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane?
2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane has a molecular weight of 192.22 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-1,4-dimethylbicyclo[2.2.2]octane is sourced from PubChem (CID 59480781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).