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

C13H22F3NO — CID 59970248

IUPAC2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide
SMILESC[C@H]1CC(C)(C)C[C@@](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)/t9-,12-/m0/s1
InChIKeyRTFOHQWNKIYGQH-CABZTGNLSA-N
MW265.32 g/mol
LogP3.52
Rot. Bonds2

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

2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide (PubChem CID 59970248) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide
PubChem CID59970248
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide
SMILESC[C@H]1CC(C)(C)C[C@@](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)/t9-,12-/m0/s1
InChIKeyRTFOHQWNKIYGQH-CABZTGNLSA-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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide (CID 59970248) is 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide is C[C@H]1CC(C)(C)C[C@@](C)(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide?
The InChIKey is RTFOHQWNKIYGQH-CABZTGNLSA-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)/t9-,12-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide?
2,2,2-trifluoro-N-[[(1S,5S)-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-[[(1S,5S)-1,3,3,5-tetramethylcyclohexyl]methyl]acetamide is sourced from PubChem (CID 59970248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).