2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol

C13H12BrFO2 — CID 114833043

IUPAC2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1occc1Br
InChIInChI=1S/C13H12BrFO2/c1-13(16,12-11(14)6-7-17-12)8-9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3
InChIKeyXIXYINFBXGKDTN-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.63
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol

2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol (PubChem CID 114833043) has the molecular formula C13H12BrFO2 and a molecular weight of 299.14 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol
PubChem CID114833043
Molecular FormulaC13H12BrFO2
Molecular Weight299.14 g/mol
Exact Mass298.00
IUPAC Name2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol
SMILESCC(O)(Cc1ccc(F)cc1)c1occc1Br
InChIInChI=1S/C13H12BrFO2/c1-13(16,12-11(14)6-7-17-12)8-9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3
InChIKeyXIXYINFBXGKDTN-UHFFFAOYSA-N
XLogP3.63
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol 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 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol (CID 114833043) is 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol is CC(O)(Cc1ccc(F)cc1)c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol?
The InChIKey is XIXYINFBXGKDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFO2/c1-13(16,12-11(14)6-7-17-12)8-9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3.
What are the key properties of 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol?
2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol has a molecular weight of 299.14 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-1-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 114833043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).