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

C14H24F3NO — CID 62611874

IUPAC4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyVRVDZCSWGHCHSK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.51
Rot. Bonds3

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

4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (PubChem CID 62611874) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
PubChem CID62611874
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
SMILESCN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyVRVDZCSWGHCHSK-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.51
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-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one (CID 62611874) is 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is CN(CC1CC(C(C)(C)C)CCC1=O)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
The InChIKey is VRVDZCSWGHCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-13(2,3)11-5-6-12(19)10(7-11)8-18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one?
4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62611874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).