[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate

C7H10F5NO2 — CID 89422681

IUPAC[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate
SMILESCC(CF)(CF)[C@H](N)OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-6(2-8,3-9)4(13)15-5(14)7(10,11)12/h4H,2-3,13H2,1H3/t4-/m1/s1
InChIKeyIQJIXKCFVJWFGG-SCSAIBSYSA-N
MW235.15 g/mol
LogP1.32
Rot. Bonds4

About [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate

[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate (PubChem CID 89422681) has the molecular formula C7H10F5NO2 and a molecular weight of 235.15 g/mol. Its IUPAC name is [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate
PubChem CID89422681
Molecular FormulaC7H10F5NO2
Molecular Weight235.15 g/mol
Exact Mass235.06
IUPAC Name[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate
SMILESCC(CF)(CF)[C@H](N)OC(=O)C(F)(F)F
InChIInChI=1S/C7H10F5NO2/c1-6(2-8,3-9)4(13)15-5(14)7(10,11)12/h4H,2-3,13H2,1H3/t4-/m1/s1
InChIKeyIQJIXKCFVJWFGG-SCSAIBSYSA-N
XLogP1.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate (CID 89422681) is [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate is CC(CF)(CF)[C@H](N)OC(=O)C(F)(F)F.
What is the InChIKey of [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate?
The InChIKey is IQJIXKCFVJWFGG-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H10F5NO2/c1-6(2-8,3-9)4(13)15-5(14)7(10,11)12/h4H,2-3,13H2,1H3/t4-/m1/s1.
What are the key properties of [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate?
[(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate has a molecular weight of 235.15 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-3-fluoro-2-(fluoromethyl)-2-methylpropyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 89422681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).