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

C11H18F3NO — CID 62612041

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
SMILESCN(CC1CCCCCC1=O)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9H,2-8H2,1H3
InChIKeyIRHDTVGSXAQXMU-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds3

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one (PubChem CID 62612041) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
PubChem CID62612041
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one
SMILESCN(CC1CCCCCC1=O)CC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9H,2-8H2,1H3
InChIKeyIRHDTVGSXAQXMU-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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]cycloheptan-1-one?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one (CID 62612041) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one is CN(CC1CCCCCC1=O)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
The InChIKey is IRHDTVGSXAQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-15(8-11(12,13)14)7-9-5-3-2-4-6-10(9)16/h9H,2-8H2,1H3.
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.63, 3 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]cycloheptan-1-one is sourced from PubChem (CID 62612041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).