2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane

C9H13F3O — CID 85195159

IUPAC2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)COC1CC2CCC1C2
InChIInChI=1S/C9H13F3O/c10-9(11,12)5-13-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyACTMLCZHRJJCJB-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.75
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane

2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane (PubChem CID 85195159) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
PubChem CID85195159
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)COC1CC2CCC1C2
InChIInChI=1S/C9H13F3O/c10-9(11,12)5-13-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
InChIKeyACTMLCZHRJJCJB-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane (CID 85195159) is 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane is FC(F)(F)COC1CC2CCC1C2.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane?
The InChIKey is ACTMLCZHRJJCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c10-9(11,12)5-13-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane?
2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane has a molecular weight of 194.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 85195159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).