2-bromo-3-fluoro-3-methylbutan-1-ol

C5H10BrFO — CID 14950752

IUPAC2-bromo-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(Br)CO
InChIInChI=1S/C5H10BrFO/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3
InChIKeyKSYURYLVAFSUDD-UHFFFAOYSA-N
MW185.04 g/mol
LogP1.49
Rot. Bonds2

About 2-bromo-3-fluoro-3-methylbutan-1-ol

2-bromo-3-fluoro-3-methylbutan-1-ol (PubChem CID 14950752) has the molecular formula C5H10BrFO and a molecular weight of 185.04 g/mol. Its IUPAC name is 2-bromo-3-fluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-bromo-3-fluoro-3-methylbutan-1-ol
PubChem CID14950752
Molecular FormulaC5H10BrFO
Molecular Weight185.04 g/mol
Exact Mass183.99
IUPAC Name2-bromo-3-fluoro-3-methylbutan-1-ol
SMILESCC(C)(F)C(Br)CO
InChIInChI=1S/C5H10BrFO/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3
InChIKeyKSYURYLVAFSUDD-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 2-bromo-3-fluoro-3-methylbutan-1-ol?
The IUPAC name of 2-bromo-3-fluoro-3-methylbutan-1-ol (CID 14950752) is 2-bromo-3-fluoro-3-methylbutan-1-ol.
What is the SMILES notation for 2-bromo-3-fluoro-3-methylbutan-1-ol?
The canonical SMILES for 2-bromo-3-fluoro-3-methylbutan-1-ol is CC(C)(F)C(Br)CO.
What is the InChIKey of 2-bromo-3-fluoro-3-methylbutan-1-ol?
The InChIKey is KSYURYLVAFSUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrFO/c1-5(2,7)4(6)3-8/h4,8H,3H2,1-2H3.
What are the key properties of 2-bromo-3-fluoro-3-methylbutan-1-ol?
2-bromo-3-fluoro-3-methylbutan-1-ol has a molecular weight of 185.04 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-3-methylbutan-1-ol is sourced from PubChem (CID 14950752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).