2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H16F3NO — CID 51072709

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)6-15-10(16)5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16)
InChIKeyRQDUZPCIMKMZHO-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 51072709) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID51072709
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CC2CCC1C2)NCC(F)(F)F
InChIInChI=1S/C11H16F3NO/c12-11(13,14)6-15-10(16)5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16)
InChIKeyRQDUZPCIMKMZHO-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide 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 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 51072709) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CC2CCC1C2)NCC(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RQDUZPCIMKMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-11(13,14)6-15-10(16)5-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 235.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 51072709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).