1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine

C11H23F2NO2 — CID 103149387

IUPAC1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine
SMILESCNC(CCOCC(F)F)C(C)CCOC
InChIInChI=1S/C11H23F2NO2/c1-9(4-6-15-3)10(14-2)5-7-16-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyOUXAJYSZHYVGFA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds10

About 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine

1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine (PubChem CID 103149387) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine
PubChem CID103149387
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine
SMILESCNC(CCOCC(F)F)C(C)CCOC
InChIInChI=1S/C11H23F2NO2/c1-9(4-6-15-3)10(14-2)5-7-16-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyOUXAJYSZHYVGFA-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
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 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine (CID 103149387) is 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine is CNC(CCOCC(F)F)C(C)CCOC.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine?
The InChIKey is OUXAJYSZHYVGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-9(4-6-15-3)10(14-2)5-7-16-8-11(12)13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine?
1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine has a molecular weight of 239.31 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methoxy-N,4-dimethylhexan-3-amine is sourced from PubChem (CID 103149387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).