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

C11H18F3NO — CID 62611703

IUPAC4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-8-3-4-10(16)9(5-8)6-15(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyYDZUEEOEZKXIRT-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.49
Rot. Bonds3

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

4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62611703) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62611703
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN(C)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO/c1-8-3-4-10(16)9(5-8)6-15(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3
InChIKeyYDZUEEOEZKXIRT-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62611703) is 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CC1CCC(=O)C(CN(C)CC(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is YDZUEEOEZKXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8-3-4-10(16)9(5-8)6-15(2)7-11(12,13)14/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62611703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).