3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

C8H9F3O3 — CID 167714617

IUPAC3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(COC(F)(F)F)(C1)C2
InChIInChI=1S/C8H9F3O3/c9-8(10,11)14-4-6-1-7(2-6,3-6)5(12)13/h1-4H2,(H,12,13)
InChIKeyZTYWFGUXJQJZDN-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.78
Rot. Bonds3

About 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 167714617) has the molecular formula C8H9F3O3 and a molecular weight of 210.15 g/mol. Its IUPAC name is 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID167714617
Molecular FormulaC8H9F3O3
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESO=C(O)C12CC(COC(F)(F)F)(C1)C2
InChIInChI=1S/C8H9F3O3/c9-8(10,11)14-4-6-1-7(2-6,3-6)5(12)13/h1-4H2,(H,12,13)
InChIKeyZTYWFGUXJQJZDN-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid (CID 167714617) is 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid is O=C(O)C12CC(COC(F)(F)F)(C1)C2.
What is the InChIKey of 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is ZTYWFGUXJQJZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O3/c9-8(10,11)14-4-6-1-7(2-6,3-6)5(12)13/h1-4H2,(H,12,13).
What are the key properties of 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid?
3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 210.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 167714617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).