(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane

C11H12BrFO — CID 56964120

IUPAC(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane
SMILESFc1ccc([C@@H](Br)[C@H]2CCCO2)cc1
InChIInChI=1S/C11H12BrFO/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h3-6,10-11H,1-2,7H2/t10-,11-/m1/s1
InChIKeyFDIAWYYQBDCLHM-GHMZBOCLSA-N
MW259.12 g/mol
LogP3.44
Rot. Bonds2

About (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane

(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane (PubChem CID 56964120) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane
PubChem CID56964120
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane
SMILESFc1ccc([C@@H](Br)[C@H]2CCCO2)cc1
InChIInChI=1S/C11H12BrFO/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h3-6,10-11H,1-2,7H2/t10-,11-/m1/s1
InChIKeyFDIAWYYQBDCLHM-GHMZBOCLSA-N
XLogP3.44
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 ≤ 53.44
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)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane?
The IUPAC name of (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane (CID 56964120) is (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane.
What is the SMILES notation for (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane?
The canonical SMILES for (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane is Fc1ccc([C@@H](Br)[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane?
The InChIKey is FDIAWYYQBDCLHM-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12BrFO/c12-11(10-2-1-7-14-10)8-3-5-9(13)6-4-8/h3-6,10-11H,1-2,7H2/t10-,11-/m1/s1.
What are the key properties of (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane?
(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane has a molecular weight of 259.12 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane is sourced from PubChem (CID 56964120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).