fluoro 2-bromo-3-methylbutanoate

C5H8BrFO2 — CID 143459700

IUPACfluoro 2-bromo-3-methylbutanoate
SMILESCC(C)C(Br)C(=O)OF
InChIInChI=1S/C5H8BrFO2/c1-3(2)4(6)5(8)9-7/h3-4H,1-2H3
InChIKeyRKGSHRHKKBJKBA-UHFFFAOYSA-N
MW199.02 g/mol
LogP1.83
Rot. Bonds2

About fluoro 2-bromo-3-methylbutanoate

fluoro 2-bromo-3-methylbutanoate (PubChem CID 143459700) has the molecular formula C5H8BrFO2 and a molecular weight of 199.02 g/mol. Its IUPAC name is fluoro 2-bromo-3-methylbutanoate.

Molecular Properties

Compound Namefluoro 2-bromo-3-methylbutanoate
PubChem CID143459700
Molecular FormulaC5H8BrFO2
Molecular Weight199.02 g/mol
Exact Mass197.97
IUPAC Namefluoro 2-bromo-3-methylbutanoate
SMILESCC(C)C(Br)C(=O)OF
InChIInChI=1S/C5H8BrFO2/c1-3(2)4(6)5(8)9-7/h3-4H,1-2H3
InChIKeyRKGSHRHKKBJKBA-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze fluoro 2-bromo-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl 2-bromo-3-methylbutanoate
CID 139689858
fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
CID 174491037
potassium;fluoro 2-bromo-2-fluoroacetate;hydride
CID 175453203
3-bromo-4-methyl-2-oxopentanoate
CID 86630359
[4-(4-methoxyphenyl)phenyl] 2-bromo-3-methylbutanoate
CID 54049313
fluoro 2-deuterio-2,2-difluoroacetate
CID 20826380
(1,3-dioxoisoindol-2-yl)methyl 2-bromo-3-methylbutanoate
CID 54296614
2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
phosphanyl 2-bromopropanoate
CID 22086776
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-bromo-3-methylbutanoate
CID 15517932
diethyl 2-bromo-3-methylbutanedioate
CID 22292929
(2R,3R)-2-bromo-3-hydroxy-4-methylpentanoic acid
CID 130641963

Frequently Asked Questions

What is the IUPAC name of fluoro 2-bromo-3-methylbutanoate?
The IUPAC name of fluoro 2-bromo-3-methylbutanoate (CID 143459700) is fluoro 2-bromo-3-methylbutanoate.
What is the SMILES notation for fluoro 2-bromo-3-methylbutanoate?
The canonical SMILES for fluoro 2-bromo-3-methylbutanoate is CC(C)C(Br)C(=O)OF.
What is the InChIKey of fluoro 2-bromo-3-methylbutanoate?
The InChIKey is RKGSHRHKKBJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrFO2/c1-3(2)4(6)5(8)9-7/h3-4H,1-2H3.
What are the key properties of fluoro 2-bromo-3-methylbutanoate?
fluoro 2-bromo-3-methylbutanoate has a molecular weight of 199.02 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-bromo-3-methylbutanoate is sourced from PubChem (CID 143459700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).