(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol

C8H16F3NO2 — CID 59287985

IUPAC(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)(C)O[C@@H]([C@@H](N)CO)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2,3)14-6(5(12)4-13)8(9,10)11/h5-6,13H,4,12H2,1-3H3/t5-,6-/m0/s1
InChIKeyYFRPNDNUXWSOBG-WDSKDSINSA-N
MW215.21 g/mol
LogP1.05
Rot. Bonds3

About (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol

(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol (PubChem CID 59287985) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol.

Molecular Properties

Compound Name(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
PubChem CID59287985
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
SMILESCC(C)(C)O[C@@H]([C@@H](N)CO)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-7(2,3)14-6(5(12)4-13)8(9,10)11/h5-6,13H,4,12H2,1-3H3/t5-,6-/m0/s1
InChIKeyYFRPNDNUXWSOBG-WDSKDSINSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The IUPAC name of (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol (CID 59287985) is (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol.
What is the SMILES notation for (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The canonical SMILES for (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol is CC(C)(C)O[C@@H]([C@@H](N)CO)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
The InChIKey is YFRPNDNUXWSOBG-WDSKDSINSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-7(2,3)14-6(5(12)4-13)8(9,10)11/h5-6,13H,4,12H2,1-3H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol?
(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol is sourced from PubChem (CID 59287985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).