2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide

C13H22F3NO — CID 20692121

IUPAC2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide
SMILESCC1CC(C)(C)CC(C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-9-5-11(2,3)7-12(4,6-9)8-17-10(18)13(14,15)16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyRTFOHQWNKIYGQH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.52
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide

2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide (PubChem CID 20692121) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide
PubChem CID20692121
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide
SMILESCC1CC(C)(C)CC(C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-9-5-11(2,3)7-12(4,6-9)8-17-10(18)13(14,15)16/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyRTFOHQWNKIYGQH-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-[[(1S,5S)-1,3,3-trimethyl-5-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]methyl]acetamide
CID 1014515
1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
CID 59547464
2,2,3,3,4,4,4-heptafluoro-N-[[1,3,3-trimethyl-5-(2,2,3,3,3-pentafluoropropanoylamino)cyclohexyl]methyl]butanamide
CID 3101998
2,2,2-trichloro-N-[[1,3,3-trimethyl-5-[(2,2,2-trichloroacetyl)amino]cyclohexyl]methyl]acetamide
CID 3710532
2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
CID 131065134
N-[[1-(2-chloroacetyl)-4-methylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 104701808
(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
CID 70316009
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
N-[(1-ethylcyclopentyl)methyl]-2,2,2-trifluoroacetamide
CID 103766554

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide (CID 20692121) is 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide is CC1CC(C)(C)CC(C)(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide?
The InChIKey is RTFOHQWNKIYGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9-5-11(2,3)7-12(4,6-9)8-17-10(18)13(14,15)16/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide has a molecular weight of 265.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1,3,3,5-tetramethylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 20692121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).