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

C10H16F3NO — CID 60892125

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
SMILESCN(CC(F)(F)F)C1CCCCCC1=O
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3
InChIKeyZHOXUUORXMQHMV-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.38
Rot. Bonds2

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

2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one (PubChem CID 60892125) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
PubChem CID60892125
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one
SMILESCN(CC(F)(F)F)C1CCCCCC1=O
InChIInChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3
InChIKeyZHOXUUORXMQHMV-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.38
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]cycloheptan-1-one?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one (CID 60892125) is 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one is CN(CC(F)(F)F)C1CCCCCC1=O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one?
The InChIKey is ZHOXUUORXMQHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14(7-10(11,12)13)8-5-3-2-4-6-9(8)15/h8H,2-7H2,1H3.
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one?
2-[methyl(2,2,2-trifluoroethyl)amino]cycloheptan-1-one has a molecular weight of 223.24 g/mol, XLogP of 2.38, 2 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]cycloheptan-1-one is sourced from PubChem (CID 60892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).