4-bromo-3-fluorobutan-1-ol

C4H8BrFO — CID 15906127

IUPAC4-bromo-3-fluorobutan-1-ol
SMILESOCCC(F)CBr
InChIInChI=1S/C4H8BrFO/c5-3-4(6)1-2-7/h4,7H,1-3H2
InChIKeyHUYBUIJUMTYVMZ-UHFFFAOYSA-N
MW171.01 g/mol
LogP1.10
Rot. Bonds3

About 4-bromo-3-fluorobutan-1-ol

4-bromo-3-fluorobutan-1-ol (PubChem CID 15906127) has the molecular formula C4H8BrFO and a molecular weight of 171.01 g/mol. Its IUPAC name is 4-bromo-3-fluorobutan-1-ol.

Molecular Properties

Compound Name4-bromo-3-fluorobutan-1-ol
PubChem CID15906127
Molecular FormulaC4H8BrFO
Molecular Weight171.01 g/mol
Exact Mass169.97
IUPAC Name4-bromo-3-fluorobutan-1-ol
SMILESOCCC(F)CBr
InChIInChI=1S/C4H8BrFO/c5-3-4(6)1-2-7/h4,7H,1-3H2
InChIKeyHUYBUIJUMTYVMZ-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.01
LogP ≤ 51.10
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 4-bromo-3-fluorobutan-1-ol?
The IUPAC name of 4-bromo-3-fluorobutan-1-ol (CID 15906127) is 4-bromo-3-fluorobutan-1-ol.
What is the SMILES notation for 4-bromo-3-fluorobutan-1-ol?
The canonical SMILES for 4-bromo-3-fluorobutan-1-ol is OCCC(F)CBr.
What is the InChIKey of 4-bromo-3-fluorobutan-1-ol?
The InChIKey is HUYBUIJUMTYVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrFO/c5-3-4(6)1-2-7/h4,7H,1-3H2.
What are the key properties of 4-bromo-3-fluorobutan-1-ol?
4-bromo-3-fluorobutan-1-ol has a molecular weight of 171.01 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluorobutan-1-ol is sourced from PubChem (CID 15906127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).