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

C15H26F3NO — CID 62613532

IUPAC4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-12H,5-10H2,1-4H3
InChIKeyHJDVGIWJXAGAOC-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds4

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

4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62613532) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62613532
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCCN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C15H26F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-12H,5-10H2,1-4H3
InChIKeyHJDVGIWJXAGAOC-UHFFFAOYSA-N
XLogP3.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62613532) is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CCN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is HJDVGIWJXAGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-5-19(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)20/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62613532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).