2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol

C13H13BrFNO2 — CID 113437691

IUPAC2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(F)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13BrFNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3
InChIKeyLAAIGCSLPYAQFP-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.50
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol

2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol (PubChem CID 113437691) has the molecular formula C13H13BrFNO2 and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
PubChem CID113437691
Molecular FormulaC13H13BrFNO2
Molecular Weight314.15 g/mol
Exact Mass313.01
IUPAC Name2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccc(F)cc1)c1ccc(Br)o1
InChIInChI=1S/C13H13BrFNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3
InChIKeyLAAIGCSLPYAQFP-UHFFFAOYSA-N
XLogP3.50
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromofuran-2-yl)-2-(4-chloroanilino)propan-1-ol
CID 104653916
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-(5-bromofuran-2-yl)-2-(butan-2-ylamino)propan-1-ol
CID 104653909
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-[4-(dimethylamino)phenyl]-2-(4-fluoroanilino)propan-1-ol
CID 61050347
2-(5-bromofuran-2-yl)-2-[2-(dimethylamino)ethylamino]propan-1-ol
CID 104653920
2-(4-fluoroanilino)-2-methylbutan-1-ol
CID 61050548
2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)propan-1-ol
CID 64991044
2-(5-bromofuran-2-yl)propan-2-ol
CID 66520373
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol?
The IUPAC name of 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol (CID 113437691) is 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol?
The canonical SMILES for 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol is CC(CO)(Nc1ccc(F)cc1)c1ccc(Br)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol?
The InChIKey is LAAIGCSLPYAQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO2/c1-13(8-17,11-6-7-12(14)18-11)16-10-4-2-9(15)3-5-10/h2-7,16-17H,8H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol?
2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol has a molecular weight of 314.15 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-2-(4-fluoroanilino)propan-1-ol is sourced from PubChem (CID 113437691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).