methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate

C10H16F3NO3 — CID 59875962

IUPACmethyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(9(16)10(11,12)13)7-5-3-4-6-8(15)17-2/h3-7H2,1-2H3
InChIKeyMWMHVOIAMGCFHS-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.74
Rot. Bonds6

About methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate

methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate (PubChem CID 59875962) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate
PubChem CID59875962
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Namemethyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate
SMILESCOC(=O)CCCCCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-14(9(16)10(11,12)13)7-5-3-4-6-8(15)17-2/h3-7H2,1-2H3
InChIKeyMWMHVOIAMGCFHS-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate 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 methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate?
The IUPAC name of methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate (CID 59875962) is methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate?
The canonical SMILES for methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate is COC(=O)CCCCCN(C)C(=O)C(F)(F)F.
What is the InChIKey of methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate?
The InChIKey is MWMHVOIAMGCFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(9(16)10(11,12)13)7-5-3-4-6-8(15)17-2/h3-7H2,1-2H3.
What are the key properties of methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate?
methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate has a molecular weight of 255.24 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate is sourced from PubChem (CID 59875962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).