N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide

C9H15F3N2O — CID 22667927

IUPACN-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-5-6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15)
InChIKeyAKMUXRHTWYTBRB-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.18
Rot. Bonds2

About N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide

N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 22667927) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID22667927
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-5-6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15)
InChIKeyAKMUXRHTWYTBRB-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide 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-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide (CID 22667927) is N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide is NC1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is AKMUXRHTWYTBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-5-6-1-3-7(13)4-2-6/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide?
N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 224.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22667927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).