3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol

C8H9BrF3NO2 — CID 103527072

IUPAC3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Br)o1)C(F)(F)F
InChIInChI=1S/C8H9BrF3NO2/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12/h1-2,6,13-14H,3-4H2
InChIKeyPBVHIHUPXBZWIA-UHFFFAOYSA-N
MW288.06 g/mol
LogP2.05
Rot. Bonds4

About 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol

3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103527072) has the molecular formula C8H9BrF3NO2 and a molecular weight of 288.06 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103527072
Molecular FormulaC8H9BrF3NO2
Molecular Weight288.06 g/mol
Exact Mass286.98
IUPAC Name3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccc(Br)o1)C(F)(F)F
InChIInChI=1S/C8H9BrF3NO2/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12/h1-2,6,13-14H,3-4H2
InChIKeyPBVHIHUPXBZWIA-UHFFFAOYSA-N
XLogP2.05
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.06
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-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 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol (CID 103527072) is 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCc1ccc(Br)o1)C(F)(F)F.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PBVHIHUPXBZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NO2/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12/h1-2,6,13-14H,3-4H2.
What are the key properties of 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 288.06 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103527072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).