2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one

C13H22F3NO — CID 62611873

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyNSRYHIRIHLLNGH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds5

About 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 62611873) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID62611873
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-11H,3-9H2,1-2H3
InChIKeyNSRYHIRIHLLNGH-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 62611873) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is NSRYHIRIHLLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-3-4-10-5-6-12(18)11(7-10)8-17(2)9-13(14,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62611873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).