2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane

C16H14BrFO2 — CID 14256939

IUPAC2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1ccc(CC2(c3ccc(Br)cc3)OCCO2)cc1
InChIInChI=1S/C16H14BrFO2/c17-14-5-3-13(4-6-14)16(19-9-10-20-16)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2
InChIKeyMSISUYKJSXNWPT-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane

2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane (PubChem CID 14256939) has the molecular formula C16H14BrFO2 and a molecular weight of 337.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane
PubChem CID14256939
Molecular FormulaC16H14BrFO2
Molecular Weight337.19 g/mol
Exact Mass336.02
IUPAC Name2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane
SMILESFc1ccc(CC2(c3ccc(Br)cc3)OCCO2)cc1
InChIInChI=1S/C16H14BrFO2/c17-14-5-3-13(4-6-14)16(19-9-10-20-16)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2
InChIKeyMSISUYKJSXNWPT-UHFFFAOYSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
3-(4-Bromophenyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205617
2,2-Diphenyldioxolane
CID 283230
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-(Bromomethyl)-2-phenyl-1,3-dioxolane
CID 291574
1,3-Dioxolane-4-methanol, 2-(p-bromophenyl)-2-methyl-
CID 57628
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
3-(4-Bromophenyl)-3-methoxyoxolane
CID 176193835
(8R,9R)-9-(4-bromophenyl)-8-[1-(4-bromophenyl)ethenyl]-6,7,10-trioxaspiro[4.5]decane
CID 71527114
(3R,4R)-4-(4-bromophenyl)-3-[1-(4-bromophenyl)ethenyl]-1,2,5-trioxaspiro[5.5]undecane
CID 71527234
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane (CID 14256939) is 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane is Fc1ccc(CC2(c3ccc(Br)cc3)OCCO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane?
The InChIKey is MSISUYKJSXNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO2/c17-14-5-3-13(4-6-14)16(19-9-10-20-16)11-12-1-7-15(18)8-2-12/h1-8H,9-11H2.
What are the key properties of 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane?
2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane has a molecular weight of 337.19 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[(4-fluorophenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 14256939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).