2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane

C11H12BrFO2 — CID 62803315

IUPAC2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane
SMILESFc1ccc(C(Br)C2COCCO2)cc1
InChIInChI=1S/C11H12BrFO2/c12-11(10-7-14-5-6-15-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2
InChIKeyDETOMLQRYWHXLA-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.68
Rot. Bonds2

About 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane

2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane (PubChem CID 62803315) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane.

Molecular Properties

Compound Name2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane
PubChem CID62803315
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane
SMILESFc1ccc(C(Br)C2COCCO2)cc1
InChIInChI=1S/C11H12BrFO2/c12-11(10-7-14-5-6-15-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2
InChIKeyDETOMLQRYWHXLA-UHFFFAOYSA-N
XLogP2.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-Bromo-2-methoxyethyl)benzene
CID 11356350
[(1R,2S)-2-bromo-1-fluoro-3-methoxypropyl]benzene
CID 14507948
(2R)-2-[(R)-bromo-(4-fluorophenyl)methyl]oxolane
CID 56964120
1-(3-Bromo-2-methoxypropyl)-4-fluorobenzene
CID 134690966
3-Bromo-2,2-difluoro-5-phenyloxane
CID 13551232
(1,2-Dibromo-2-ethoxy-3,3,3-trifluoropropyl)benzene
CID 15398554
2beta-[(S)-alpha-Bromo-4-(trifluoromethyl)benzyl]tetrahydrofuran
CID 101898362
(3-Bromo-2-(trifluoromethoxy)propyl)benzene
CID 123131858
(2R,3R)-3-bromo-2-(4-fluorophenyl)oxane
CID 139247604
(2R,4R)-2-benzyl-4-fluorooxane
CID 162398409
(2R,4S)-2-benzyl-4-fluorooxane
CID 162398577
2-[Bromo(phenyl)methyl]oxirane
CID 10910866

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane?
The IUPAC name of 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane (CID 62803315) is 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane.
What is the SMILES notation for 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane?
The canonical SMILES for 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane is Fc1ccc(C(Br)C2COCCO2)cc1.
What is the InChIKey of 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane?
The InChIKey is DETOMLQRYWHXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c12-11(10-7-14-5-6-15-10)8-1-3-9(13)4-2-8/h1-4,10-11H,5-7H2.
What are the key properties of 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane?
2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane has a molecular weight of 275.12 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-fluorophenyl)methyl]-1,4-dioxane is sourced from PubChem (CID 62803315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).