(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane

C12H14BrFO — CID 89062578

IUPAC(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
SMILESCc1cc(C2CC[C@H](CBr)O2)ccc1F
InChIInChI=1S/C12H14BrFO/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-13)15-12/h2,4,6,10,12H,3,5,7H2,1H3/t10-,12?/m1/s1
InChIKeyFVQBVIQYJBIDET-RWANSRKNSA-N
MW273.14 g/mol
LogP3.75
Rot. Bonds2

About (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane

(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane (PubChem CID 89062578) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane.

Molecular Properties

Compound Name(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
PubChem CID89062578
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane
SMILESCc1cc(C2CC[C@H](CBr)O2)ccc1F
InChIInChI=1S/C12H14BrFO/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-13)15-12/h2,4,6,10,12H,3,5,7H2,1H3/t10-,12?/m1/s1
InChIKeyFVQBVIQYJBIDET-RWANSRKNSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.75
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-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane?
The IUPAC name of (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane (CID 89062578) is (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane.
What is the SMILES notation for (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane?
The canonical SMILES for (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane is Cc1cc(C2CC[C@H](CBr)O2)ccc1F.
What is the InChIKey of (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane?
The InChIKey is FVQBVIQYJBIDET-RWANSRKNSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-13)15-12/h2,4,6,10,12H,3,5,7H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane?
(2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane has a molecular weight of 273.14 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(bromomethyl)-5-(4-fluoro-3-methylphenyl)oxolane is sourced from PubChem (CID 89062578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).