(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol

C10H13BrFNO2 — CID 126662243

IUPAC(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol
SMILESC[C@@H](Nc1ccc(Br)cc1F)[C@@H](O)CO
InChIInChI=1S/C10H13BrFNO2/c1-6(10(15)5-14)13-9-3-2-7(11)4-8(9)12/h2-4,6,10,13-15H,5H2,1H3/t6-,10+/m1/s1
InChIKeyDWTKUELXPAAWMT-LDWIPMOCSA-N
MW278.12 g/mol
LogP1.74
Rot. Bonds4

About (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol

(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol (PubChem CID 126662243) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol
PubChem CID126662243
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol
SMILESC[C@@H](Nc1ccc(Br)cc1F)[C@@H](O)CO
InChIInChI=1S/C10H13BrFNO2/c1-6(10(15)5-14)13-9-3-2-7(11)4-8(9)12/h2-4,6,10,13-15H,5H2,1H3/t6-,10+/m1/s1
InChIKeyDWTKUELXPAAWMT-LDWIPMOCSA-N
XLogP1.74
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol?
The IUPAC name of (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol (CID 126662243) is (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol?
The canonical SMILES for (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol is C[C@@H](Nc1ccc(Br)cc1F)[C@@H](O)CO.
What is the InChIKey of (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol?
The InChIKey is DWTKUELXPAAWMT-LDWIPMOCSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-6(10(15)5-14)13-9-3-2-7(11)4-8(9)12/h2-4,6,10,13-15H,5H2,1H3/t6-,10+/m1/s1.
What are the key properties of (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol?
(2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol has a molecular weight of 278.12 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-bromo-2-fluoroanilino)butane-1,2-diol is sourced from PubChem (CID 126662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).