3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol

C13H12BrF2NO2 — CID 65189381

IUPAC3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2
InChIKeyMRRARIKTGLCJRM-UHFFFAOYSA-N
MW332.14 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol

3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 65189381) has the molecular formula C13H12BrF2NO2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID65189381
Molecular FormulaC13H12BrF2NO2
Molecular Weight332.14 g/mol
Exact Mass331.00
IUPAC Name3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1ccc(Br)o1
InChIInChI=1S/C13H12BrF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2
InChIKeyMRRARIKTGLCJRM-UHFFFAOYSA-N
XLogP3.10
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol (CID 65189381) is 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1ccc(Br)o1.
What is the InChIKey of 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is MRRARIKTGLCJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO2/c14-12-2-1-11(19-12)13(18)10(6-17)7-3-8(15)5-9(16)4-7/h1-5,10,13,18H,6,17H2.
What are the key properties of 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol?
3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 332.14 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-bromofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).