(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane

C11H12BrFO — CID 125456369

IUPAC(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
SMILESFc1ccccc1[C@@H]1CO[C@@H](CBr)C1
InChIInChI=1S/C11H12BrFO/c12-6-9-5-8(7-14-9)10-3-1-2-4-11(10)13/h1-4,8-9H,5-7H2/t8-,9+/m0/s1
InChIKeyVZLITXHCKQSPAH-DTWKUNHWSA-N
MW259.12 g/mol
LogP3.09
Rot. Bonds2

About (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane

(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane (PubChem CID 125456369) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane.

Molecular Properties

Compound Name(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
PubChem CID125456369
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
SMILESFc1ccccc1[C@@H]1CO[C@@H](CBr)C1
InChIInChI=1S/C11H12BrFO/c12-6-9-5-8(7-14-9)10-3-1-2-4-11(10)13/h1-4,8-9H,5-7H2/t8-,9+/m0/s1
InChIKeyVZLITXHCKQSPAH-DTWKUNHWSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane?
The IUPAC name of (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane (CID 125456369) is (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane.
What is the SMILES notation for (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane?
The canonical SMILES for (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane is Fc1ccccc1[C@@H]1CO[C@@H](CBr)C1.
What is the InChIKey of (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane?
The InChIKey is VZLITXHCKQSPAH-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-6-9-5-8(7-14-9)10-3-1-2-4-11(10)13/h1-4,8-9H,5-7H2/t8-,9+/m0/s1.
What are the key properties of (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane?
(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane has a molecular weight of 259.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane is sourced from PubChem (CID 125456369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).