2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide

C12H18F3NO2 — CID 130457428

IUPAC2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide
SMILESCC(C)C(=O)C1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C12H18F3NO2/c1-8(2)9(17)11(6-4-3-5-7-11)16-10(18)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,18)
InChIKeyBVHJMMBTNHDMIN-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.59
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide

2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide (PubChem CID 130457428) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide
PubChem CID130457428
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide
SMILESCC(C)C(=O)C1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C12H18F3NO2/c1-8(2)9(17)11(6-4-3-5-7-11)16-10(18)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,18)
InChIKeyBVHJMMBTNHDMIN-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide (CID 130457428) is 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide is CC(C)C(=O)C1(NC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide?
The InChIKey is BVHJMMBTNHDMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c1-8(2)9(17)11(6-4-3-5-7-11)16-10(18)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide has a molecular weight of 265.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(2-methylpropanoyl)cyclohexyl]acetamide is sourced from PubChem (CID 130457428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).