2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane

C8H8F6O — CID 163925062

IUPAC2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C8H8F6O/c9-6(10)4-1-2-5(3-4)7(6,11)15-8(12,13)14/h4-5H,1-3H2
InChIKeyRDSVXUIHHUOYBE-UHFFFAOYSA-N
MW234.14 g/mol
LogP3.25
Rot. Bonds1

About 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane

2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane (PubChem CID 163925062) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane
PubChem CID163925062
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C8H8F6O/c9-6(10)4-1-2-5(3-4)7(6,11)15-8(12,13)14/h4-5H,1-3H2
InChIKeyRDSVXUIHHUOYBE-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane (CID 163925062) is 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane is FC(F)(F)OC1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane?
The InChIKey is RDSVXUIHHUOYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c9-6(10)4-1-2-5(3-4)7(6,11)15-8(12,13)14/h4-5H,1-3H2.
What are the key properties of 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane?
2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane has a molecular weight of 234.14 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 163925062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).