(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

C11H15F3O2 — CID 578869

IUPAC(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESCC1(C)C2CCC(C2)C1OC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-10(2)7-4-3-6(5-7)8(10)16-9(15)11(12,13)14/h6-8H,3-5H2,1-2H3
InChIKeyDXNQIHGSXJLXJC-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.92
Rot. Bonds1

About (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (PubChem CID 578869) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
PubChem CID578869
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESCC1(C)C2CCC(C2)C1OC(=O)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-10(2)7-4-3-6(5-7)8(10)16-9(15)11(12,13)14/h6-8H,3-5H2,1-2H3
InChIKeyDXNQIHGSXJLXJC-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate 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 (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The IUPAC name of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (CID 578869) is (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is CC1(C)C2CCC(C2)C1OC(=O)C(F)(F)F.
What is the InChIKey of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The InChIKey is DXNQIHGSXJLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-10(2)7-4-3-6(5-7)8(10)16-9(15)11(12,13)14/h6-8H,3-5H2,1-2H3.
What are the key properties of (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate has a molecular weight of 236.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 578869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).