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

C8H10BrF2NO2 — CID 103527703

IUPAC3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)o1
InChIInChI=1S/C8H10BrF2NO2/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2
InChIKeyOEMFSTYNCSFIRP-UHFFFAOYSA-N
MW270.07 g/mol
LogP1.76
Rot. Bonds5

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

3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol (PubChem CID 103527703) has the molecular formula C8H10BrF2NO2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
PubChem CID103527703
Molecular FormulaC8H10BrF2NO2
Molecular Weight270.07 g/mol
Exact Mass268.99
IUPAC Name3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCc1ccc(Br)o1
InChIInChI=1S/C8H10BrF2NO2/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2
InChIKeyOEMFSTYNCSFIRP-UHFFFAOYSA-N
XLogP1.76
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol (CID 103527703) is 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCc1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
The InChIKey is OEMFSTYNCSFIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NO2/c9-7-2-1-6(14-7)3-12-4-8(10,11)5-13/h1-2,12-13H,3-5H2.
What are the key properties of 3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol?
3-[(5-bromofuran-2-yl)methylamino]-2,2-difluoropropan-1-ol has a molecular weight of 270.07 g/mol, XLogP of 1.76, 5 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]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 103527703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).