(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol

C10H12BrF2NO — CID 71008838

IUPAC(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)ccc1F)[C@@H](F)CO
InChIInChI=1S/C10H12BrF2NO/c1-10(14,9(13)5-15)7-4-6(11)2-3-8(7)12/h2-4,9,15H,5,14H2,1H3/t9-,10+/m0/s1
InChIKeyOFFLRHMLDZXTCB-VHSXEESVSA-N
MW280.11 g/mol
LogP2.09
Rot. Bonds3

About (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol

(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol (PubChem CID 71008838) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol
PubChem CID71008838
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol
SMILESC[C@@](N)(c1cc(Br)ccc1F)[C@@H](F)CO
InChIInChI=1S/C10H12BrF2NO/c1-10(14,9(13)5-15)7-4-6(11)2-3-8(7)12/h2-4,9,15H,5,14H2,1H3/t9-,10+/m0/s1
InChIKeyOFFLRHMLDZXTCB-VHSXEESVSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol?
The IUPAC name of (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol (CID 71008838) is (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol.
What is the SMILES notation for (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol?
The canonical SMILES for (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol is C[C@@](N)(c1cc(Br)ccc1F)[C@@H](F)CO.
What is the InChIKey of (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol?
The InChIKey is OFFLRHMLDZXTCB-VHSXEESVSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c1-10(14,9(13)5-15)7-4-6(11)2-3-8(7)12/h2-4,9,15H,5,14H2,1H3/t9-,10+/m0/s1.
What are the key properties of (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol?
(2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol has a molecular weight of 280.11 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-(5-bromo-2-fluorophenyl)-2-fluorobutan-1-ol is sourced from PubChem (CID 71008838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).