2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane

C15H20BrFO2 — CID 146570495

IUPAC2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
SMILESCC(C)c1cc(F)c(C2OCCO2)c(C(C)C)c1Br
InChIInChI=1S/C15H20BrFO2/c1-8(2)10-7-11(17)13(15-18-5-6-19-15)12(9(3)4)14(10)16/h7-9,15H,5-6H2,1-4H3
InChIKeyYQUIVQOVBIQOHJ-UHFFFAOYSA-N
MW331.23 g/mol
LogP4.88
Rot. Bonds3

About 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane

2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane (PubChem CID 146570495) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
PubChem CID146570495
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane
SMILESCC(C)c1cc(F)c(C2OCCO2)c(C(C)C)c1Br
InChIInChI=1S/C15H20BrFO2/c1-8(2)10-7-11(17)13(15-18-5-6-19-15)12(9(3)4)14(10)16/h7-9,15H,5-6H2,1-4H3
InChIKeyYQUIVQOVBIQOHJ-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852
(Z)-2-(4-(2-bromo-5-methylstyryl)-2,3-difluorophenyl)-1,3-dioxolane
CID 167713794
1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CID 11241979
2-(2-Bromo-5-(tert-butyl)phenyl)-1,3-dioxolane
CID 23016156
2-(5-Bromo-2-fluorophenyl)-1,3-dioxolane
CID 18455585
2-(3-Bromo-4-fluorophenyl)-4-methyl-1,3-dioxolane
CID 20034988
1-Bromo-4-fluoro-2,5-bis[(1-methoxy-1-methylethoxy)methyl]benzene
CID 59488766
2-(2-Bromo-5-fluorophenyl)-1,3-dioxolane
CID 67196455
2-(2-Fluoro-6-methyl-3-propylphenyl)-1,3-dioxolane
CID 68010490
1-Bromo-2,5-bis(1-ethoxy-1-methoxyethyl)-4-fluorobenzene
CID 68510290
1-Bromo-3-fluoro-2-(2-(methoxymethoxy)propan-2-yl)-5-methylbenzene
CID 86685498

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane (CID 146570495) is 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane is CC(C)c1cc(F)c(C2OCCO2)c(C(C)C)c1Br.
What is the InChIKey of 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane?
The InChIKey is YQUIVQOVBIQOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-8(2)10-7-11(17)13(15-18-5-6-19-15)12(9(3)4)14(10)16/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane?
2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane has a molecular weight of 331.23 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-6-fluoro-2,4-di(propan-2-yl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 146570495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).