4-bromo-3-fluoro-3-methylbutan-1-ol

C5H10BrFO — CID 14950750

IUPAC4-bromo-3-fluoro-3-methylbutan-1-ol
SMILESCC(F)(CBr)CCO
InChIInChI=1S/C5H10BrFO/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3
InChIKeyYABBLTBNWVIUGP-UHFFFAOYSA-N
MW185.04 g/mol
LogP1.49
Rot. Bonds3

About 4-bromo-3-fluoro-3-methylbutan-1-ol

4-bromo-3-fluoro-3-methylbutan-1-ol (PubChem CID 14950750) has the molecular formula C5H10BrFO and a molecular weight of 185.04 g/mol. Its IUPAC name is 4-bromo-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-bromo-3-fluoro-3-methylbutan-1-ol
PubChem CID14950750
Molecular FormulaC5H10BrFO
Molecular Weight185.04 g/mol
Exact Mass183.99
IUPAC Name4-bromo-3-fluoro-3-methylbutan-1-ol
SMILESCC(F)(CBr)CCO
InChIInChI=1S/C5H10BrFO/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3
InChIKeyYABBLTBNWVIUGP-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.04
LogP ≤ 51.49
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-fluoro-3-methylbutan-1-ol?
The IUPAC name of 4-bromo-3-fluoro-3-methylbutan-1-ol (CID 14950750) is 4-bromo-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 4-bromo-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 4-bromo-3-fluoro-3-methylbutan-1-ol is CC(F)(CBr)CCO.
What is the InChIKey of 4-bromo-3-fluoro-3-methylbutan-1-ol?
The InChIKey is YABBLTBNWVIUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrFO/c1-5(7,4-6)2-3-8/h8H,2-4H2,1H3.
What are the key properties of 4-bromo-3-fluoro-3-methylbutan-1-ol?
4-bromo-3-fluoro-3-methylbutan-1-ol has a molecular weight of 185.04 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 14950750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).