3-bromo-4-fluorobutan-1-ol

C4H8BrFO — CID 15906128

IUPAC3-bromo-4-fluorobutan-1-ol
SMILESOCCC(Br)CF
InChIInChI=1S/C4H8BrFO/c5-4(3-6)1-2-7/h4,7H,1-3H2
InChIKeyODGSWIZWGGGQHP-UHFFFAOYSA-N
MW171.01 g/mol
LogP1.10
Rot. Bonds3

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

3-bromo-4-fluorobutan-1-ol (PubChem CID 15906128) has the molecular formula C4H8BrFO and a molecular weight of 171.01 g/mol. Its IUPAC name is 3-bromo-4-fluorobutan-1-ol.

Molecular Properties

Compound Name3-bromo-4-fluorobutan-1-ol
PubChem CID15906128
Molecular FormulaC4H8BrFO
Molecular Weight171.01 g/mol
Exact Mass169.97
IUPAC Name3-bromo-4-fluorobutan-1-ol
SMILESOCCC(Br)CF
InChIInChI=1S/C4H8BrFO/c5-4(3-6)1-2-7/h4,7H,1-3H2
InChIKeyODGSWIZWGGGQHP-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 3-bromo-4-fluorobutan-1-ol?
The IUPAC name of 3-bromo-4-fluorobutan-1-ol (CID 15906128) is 3-bromo-4-fluorobutan-1-ol.
What is the SMILES notation for 3-bromo-4-fluorobutan-1-ol?
The canonical SMILES for 3-bromo-4-fluorobutan-1-ol is OCCC(Br)CF.
What is the InChIKey of 3-bromo-4-fluorobutan-1-ol?
The InChIKey is ODGSWIZWGGGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrFO/c5-4(3-6)1-2-7/h4,7H,1-3H2.
What are the key properties of 3-bromo-4-fluorobutan-1-ol?
3-bromo-4-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 3-bromo-4-fluorobutan-1-ol is sourced from PubChem (CID 15906128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).