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

C9H14F3NO — CID 79618179

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
SMILESCN(CC(F)(F)F)C1CCCC(=O)C1
InChIInChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7H,2-6H2,1H3
InChIKeyJRVRPWIQDGTVFE-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.99
Rot. Bonds2

About 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one

3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one (PubChem CID 79618179) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
PubChem CID79618179
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one
SMILESCN(CC(F)(F)F)C1CCCC(=O)C1
InChIInChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7H,2-6H2,1H3
InChIKeyJRVRPWIQDGTVFE-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one (CID 79618179) is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one is CN(CC(F)(F)F)C1CCCC(=O)C1.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
The InChIKey is JRVRPWIQDGTVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-13(6-9(10,11)12)7-3-2-4-8(14)5-7/h7H,2-6H2,1H3.
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one?
3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one has a molecular weight of 209.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79618179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).