2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine

C11H20F6N2O2 — CID 135202365

IUPAC2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CN
InChIInChI=1S/C11H20F6N2O2/c1-7(2,5-18)20-11(16,17)10(14,15)8(3,4)21-9(12,13)6-19/h5-6,18-19H2,1-4H3
InChIKeyHWJQCGAIGRQKKG-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.32
Rot. Bonds8

About 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine

2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine (PubChem CID 135202365) has the molecular formula C11H20F6N2O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine
PubChem CID135202365
Molecular FormulaC11H20F6N2O2
Molecular Weight326.28 g/mol
Exact Mass326.14
IUPAC Name2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine
SMILESCC(C)(CN)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CN
InChIInChI=1S/C11H20F6N2O2/c1-7(2,5-18)20-11(16,17)10(14,15)8(3,4)21-9(12,13)6-19/h5-6,18-19H2,1-4H3
InChIKeyHWJQCGAIGRQKKG-UHFFFAOYSA-N
XLogP2.32
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine?
The IUPAC name of 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine (CID 135202365) is 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine?
The canonical SMILES for 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine is CC(C)(CN)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)CN.
What is the InChIKey of 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine?
The InChIKey is HWJQCGAIGRQKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F6N2O2/c1-7(2,5-18)20-11(16,17)10(14,15)8(3,4)21-9(12,13)6-19/h5-6,18-19H2,1-4H3.
What are the key properties of 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine?
2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine is sourced from PubChem (CID 135202365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).