2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol

C7H13BrFNO2 — CID 59938448

IUPAC2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol
SMILESCNC1C(C)OC(Br)C(F)C1O
InChIInChI=1S/C7H13BrFNO2/c1-3-5(10-2)6(11)4(9)7(8)12-3/h3-7,10-11H,1-2H3
InChIKeyFCUIFCCBTOXIRN-UHFFFAOYSA-N
MW242.09 g/mol
LogP0.41
Rot. Bonds1

About 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol

2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol (PubChem CID 59938448) has the molecular formula C7H13BrFNO2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol.

Molecular Properties

Compound Name2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol
PubChem CID59938448
Molecular FormulaC7H13BrFNO2
Molecular Weight242.09 g/mol
Exact Mass241.01
IUPAC Name2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol
SMILESCNC1C(C)OC(Br)C(F)C1O
InChIInChI=1S/C7H13BrFNO2/c1-3-5(10-2)6(11)4(9)7(8)12-3/h3-7,10-11H,1-2H3
InChIKeyFCUIFCCBTOXIRN-UHFFFAOYSA-N
XLogP0.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol?
The IUPAC name of 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol (CID 59938448) is 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol.
What is the SMILES notation for 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol?
The canonical SMILES for 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol is CNC1C(C)OC(Br)C(F)C1O.
What is the InChIKey of 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol?
The InChIKey is FCUIFCCBTOXIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrFNO2/c1-3-5(10-2)6(11)4(9)7(8)12-3/h3-7,10-11H,1-2H3.
What are the key properties of 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol?
2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol has a molecular weight of 242.09 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-6-methyl-5-(methylamino)oxan-4-ol is sourced from PubChem (CID 59938448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).