2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol

C5H10BrFO2 — CID 71392834

IUPAC2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol
SMILESOCC(CO)(CF)CBr
InChIInChI=1S/C5H10BrFO2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKeySGERZEBRQDWABM-UHFFFAOYSA-N
MW201.03 g/mol
LogP0.32
Rot. Bonds4

About 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol

2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol (PubChem CID 71392834) has the molecular formula C5H10BrFO2 and a molecular weight of 201.03 g/mol. Its IUPAC name is 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol
PubChem CID71392834
Molecular FormulaC5H10BrFO2
Molecular Weight201.03 g/mol
Exact Mass199.98
IUPAC Name2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol
SMILESOCC(CO)(CF)CBr
InChIInChI=1S/C5H10BrFO2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKeySGERZEBRQDWABM-UHFFFAOYSA-N
XLogP0.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.03
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol?
The IUPAC name of 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol (CID 71392834) is 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol.
What is the SMILES notation for 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol?
The canonical SMILES for 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol is OCC(CO)(CF)CBr.
What is the InChIKey of 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol?
The InChIKey is SGERZEBRQDWABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrFO2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2.
What are the key properties of 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol?
2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol has a molecular weight of 201.03 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-2-(fluoromethyl)propane-1,3-diol is sourced from PubChem (CID 71392834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).