2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one

C15H18F3NO3 — CID 139559054

IUPAC2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCCNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C15H18F3NO3/c1-2-19-14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,12,19-20H,2,4,7-8H2,1H3
InChIKeyZAFWUJVMGAKTEQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.50
Rot. Bonds4

About 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one

2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (PubChem CID 139559054) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
PubChem CID139559054
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCCNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C15H18F3NO3/c1-2-19-14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,12,19-20H,2,4,7-8H2,1H3
InChIKeyZAFWUJVMGAKTEQ-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (CID 139559054) is 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is CCNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O.
What is the InChIKey of 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The InChIKey is ZAFWUJVMGAKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-2-19-14(8-4-7-12(20)13(14)21)10-5-3-6-11(9-10)22-15(16,17)18/h3,5-6,9,12,19-20H,2,4,7-8H2,1H3.
What are the key properties of 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one has a molecular weight of 317.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139559054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).