(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol

C10H10BrF4NO — CID 70815291

IUPAC(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol
SMILESN[C@@](c1cc(Br)ccc1F)(C(F)F)[C@H](F)CO
InChIInChI=1S/C10H10BrF4NO/c11-5-1-2-7(12)6(3-5)10(16,9(14)15)8(13)4-17/h1-3,8-9,17H,4,16H2/t8-,10-/m1/s1
InChIKeyGLLUQONMEANUFN-PSASIEDQSA-N
MW316.09 g/mol
LogP2.34
Rot. Bonds4

About (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol

(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol (PubChem CID 70815291) has the molecular formula C10H10BrF4NO and a molecular weight of 316.09 g/mol. Its IUPAC name is (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol
PubChem CID70815291
Molecular FormulaC10H10BrF4NO
Molecular Weight316.09 g/mol
Exact Mass314.99
IUPAC Name(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol
SMILESN[C@@](c1cc(Br)ccc1F)(C(F)F)[C@H](F)CO
InChIInChI=1S/C10H10BrF4NO/c11-5-1-2-7(12)6(3-5)10(16,9(14)15)8(13)4-17/h1-3,8-9,17H,4,16H2/t8-,10-/m1/s1
InChIKeyGLLUQONMEANUFN-PSASIEDQSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol?
The IUPAC name of (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol (CID 70815291) is (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol?
The canonical SMILES for (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol is N[C@@](c1cc(Br)ccc1F)(C(F)F)[C@H](F)CO.
What is the InChIKey of (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol?
The InChIKey is GLLUQONMEANUFN-PSASIEDQSA-N. The full InChI is InChI=1S/C10H10BrF4NO/c11-5-1-2-7(12)6(3-5)10(16,9(14)15)8(13)4-17/h1-3,8-9,17H,4,16H2/t8-,10-/m1/s1.
What are the key properties of (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol?
(2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol has a molecular weight of 316.09 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 70815291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).