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

C14H16F3NO3 — CID 139559023

IUPAC6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C14H16F3NO3/c1-18-13(7-3-6-11(19)12(13)20)9-4-2-5-10(8-9)21-14(15,16)17/h2,4-5,8,11,18-19H,3,6-7H2,1H3
InChIKeyKHRMWHYJFWROPE-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.11
Rot. Bonds3

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

6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (PubChem CID 139559023) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
PubChem CID139559023
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one
SMILESCNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O
InChIInChI=1S/C14H16F3NO3/c1-18-13(7-3-6-11(19)12(13)20)9-4-2-5-10(8-9)21-14(15,16)17/h2,4-5,8,11,18-19H,3,6-7H2,1H3
InChIKeyKHRMWHYJFWROPE-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-hydroxy-2-(methylamino)-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 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The IUPAC name of 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one (CID 139559023) is 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one.
What is the SMILES notation for 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The canonical SMILES for 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is CNC1(c2cccc(OC(F)(F)F)c2)CCCC(O)C1=O.
What is the InChIKey of 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
The InChIKey is KHRMWHYJFWROPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-18-13(7-3-6-11(19)12(13)20)9-4-2-5-10(8-9)21-14(15,16)17/h2,4-5,8,11,18-19H,3,6-7H2,1H3.
What are the key properties of 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one?
6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one has a molecular weight of 303.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(methylamino)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one is sourced from PubChem (CID 139559023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).