2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol

C10H13BrFNO2 — CID 83933857

IUPAC2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
SMILESNC(CCO)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2/c11-6-1-2-8(12)7(5-6)10(15)9(13)3-4-14/h1-2,5,9-10,14-15H,3-4,13H2
InChIKeyBNHSPUMTIDULKH-UHFFFAOYSA-N
MW278.12 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol

2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol (PubChem CID 83933857) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
PubChem CID83933857
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol
SMILESNC(CCO)C(O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2/c11-6-1-2-8(12)7(5-6)10(15)9(13)3-4-14/h1-2,5,9-10,14-15H,3-4,13H2
InChIKeyBNHSPUMTIDULKH-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 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 ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol with MolForge

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

Launch Full Analysis

Related Compounds

2,4-diamino-1-(5-bromo-2-fluorophenyl)butan-1-ol
CID 83933858
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
amino-(5-bromo-2-fluorophenyl)methanol
CID 116939684
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
4-amino-1-(5-bromo-2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 83933860
(3R)-3-[1-(5-bromo-2-fluorophenyl)ethylamino]butan-1-ol
CID 103871607
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246509
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol?
The IUPAC name of 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol (CID 83933857) is 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol?
The canonical SMILES for 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol is NC(CCO)C(O)c1cc(Br)ccc1F.
What is the InChIKey of 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol?
The InChIKey is BNHSPUMTIDULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c11-6-1-2-8(12)7(5-6)10(15)9(13)3-4-14/h1-2,5,9-10,14-15H,3-4,13H2.
What are the key properties of 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol?
2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol has a molecular weight of 278.12 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-bromo-2-fluorophenyl)butane-1,4-diol is sourced from PubChem (CID 83933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).