2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide

C13H18F2N2O2 — CID 63269718

IUPAC2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide
SMILESCC(N)(CCCCOc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-13(17,12(16)18)6-2-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8H,2-3,6-7,17H2,1H3,(H2,16,18)
InChIKeyXYMNUORLTINFFW-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.72
Rot. Bonds7

About 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide

2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide (PubChem CID 63269718) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide.

Molecular Properties

Compound Name2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide
PubChem CID63269718
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide
SMILESCC(N)(CCCCOc1cc(F)ccc1F)C(N)=O
InChIInChI=1S/C13H18F2N2O2/c1-13(17,12(16)18)6-2-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8H,2-3,6-7,17H2,1H3,(H2,16,18)
InChIKeyXYMNUORLTINFFW-UHFFFAOYSA-N
XLogP1.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide?
The IUPAC name of 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide (CID 63269718) is 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide.
What is the SMILES notation for 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide?
The canonical SMILES for 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide is CC(N)(CCCCOc1cc(F)ccc1F)C(N)=O.
What is the InChIKey of 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide?
The InChIKey is XYMNUORLTINFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-13(17,12(16)18)6-2-3-7-19-11-8-9(14)4-5-10(11)15/h4-5,8H,2-3,6-7,17H2,1H3,(H2,16,18).
What are the key properties of 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide?
2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide has a molecular weight of 272.29 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide is sourced from PubChem (CID 63269718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).