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

C13H22F3NO — CID 55106351

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-11H,4-8H2,1-3H3
InChIKeyIIPBFTKXQIZAFR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds4

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 55106351) 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-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID55106351
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-11H,4-8H2,1-3H3
InChIKeyIIPBFTKXQIZAFR-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
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-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 55106351) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is IIPBFTKXQIZAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-9(2)10-4-5-12(18)11(6-10)7-17(3)8-13(14,15)16/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.12, 4 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-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 55106351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).