3-bromo-2-fluoropropan-1-ol

C3H6BrFO — CID 14364400

IUPAC3-bromo-2-fluoropropan-1-ol
SMILESOCC(F)CBr
InChIInChI=1S/C3H6BrFO/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKeyHJPIXHRDTUXVJH-UHFFFAOYSA-N
MW156.98 g/mol
LogP0.71
Rot. Bonds2

About 3-bromo-2-fluoropropan-1-ol

3-bromo-2-fluoropropan-1-ol (PubChem CID 14364400) has the molecular formula C3H6BrFO and a molecular weight of 156.98 g/mol. Its IUPAC name is 3-bromo-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-bromo-2-fluoropropan-1-ol
PubChem CID14364400
Molecular FormulaC3H6BrFO
Molecular Weight156.98 g/mol
Exact Mass155.96
IUPAC Name3-bromo-2-fluoropropan-1-ol
SMILESOCC(F)CBr
InChIInChI=1S/C3H6BrFO/c4-1-3(5)2-6/h3,6H,1-2H2
InChIKeyHJPIXHRDTUXVJH-UHFFFAOYSA-N
XLogP0.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.98
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-bromo-2-fluoropropan-1-ol?
The IUPAC name of 3-bromo-2-fluoropropan-1-ol (CID 14364400) is 3-bromo-2-fluoropropan-1-ol.
What is the SMILES notation for 3-bromo-2-fluoropropan-1-ol?
The canonical SMILES for 3-bromo-2-fluoropropan-1-ol is OCC(F)CBr.
What is the InChIKey of 3-bromo-2-fluoropropan-1-ol?
The InChIKey is HJPIXHRDTUXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6BrFO/c4-1-3(5)2-6/h3,6H,1-2H2.
What are the key properties of 3-bromo-2-fluoropropan-1-ol?
3-bromo-2-fluoropropan-1-ol has a molecular weight of 156.98 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoropropan-1-ol is sourced from PubChem (CID 14364400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).