N-[2-(trifluoromethyl)-2-adamantyl]acetamide

C13H18F3NO — CID 11054438

IUPACN-[2-(trifluoromethyl)-2-adamantyl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18F3NO/c1-7(18)17-12(13(14,15)16)10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,17,18)
InChIKeyRSFMSHNWHMGHHU-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.88
Rot. Bonds1

About N-[2-(trifluoromethyl)-2-adamantyl]acetamide

N-[2-(trifluoromethyl)-2-adamantyl]acetamide (PubChem CID 11054438) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-2-adamantyl]acetamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-2-adamantyl]acetamide
PubChem CID11054438
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-[2-(trifluoromethyl)-2-adamantyl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C13H18F3NO/c1-7(18)17-12(13(14,15)16)10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,17,18)
InChIKeyRSFMSHNWHMGHHU-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(trifluoromethyl)-2-adamantyl]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 N-[2-(trifluoromethyl)-2-adamantyl]acetamide?
The IUPAC name of N-[2-(trifluoromethyl)-2-adamantyl]acetamide (CID 11054438) is N-[2-(trifluoromethyl)-2-adamantyl]acetamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-2-adamantyl]acetamide?
The canonical SMILES for N-[2-(trifluoromethyl)-2-adamantyl]acetamide is CC(=O)NC1(C(F)(F)F)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-(trifluoromethyl)-2-adamantyl]acetamide?
The InChIKey is RSFMSHNWHMGHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-7(18)17-12(13(14,15)16)10-3-8-2-9(5-10)6-11(12)4-8/h8-11H,2-6H2,1H3,(H,17,18).
What are the key properties of N-[2-(trifluoromethyl)-2-adamantyl]acetamide?
N-[2-(trifluoromethyl)-2-adamantyl]acetamide has a molecular weight of 261.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-2-adamantyl]acetamide is sourced from PubChem (CID 11054438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).