2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane

C10H7BrF4O2 — CID 164512753

IUPAC2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFc1cc(C(F)(F)F)c(Br)cc1C1OCCO1
InChIInChI=1S/C10H7BrF4O2/c11-7-3-5(9-16-1-2-17-9)8(12)4-6(7)10(13,14)15/h3-4,9H,1-2H2
InChIKeyVIGJJLMGSURZJW-UHFFFAOYSA-N
MW315.06 g/mol
LogP3.65
Rot. Bonds1

About 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane

2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 164512753) has the molecular formula C10H7BrF4O2 and a molecular weight of 315.06 g/mol. Its IUPAC name is 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID164512753
Molecular FormulaC10H7BrF4O2
Molecular Weight315.06 g/mol
Exact Mass313.96
IUPAC Name2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFc1cc(C(F)(F)F)c(Br)cc1C1OCCO1
InChIInChI=1S/C10H7BrF4O2/c11-7-3-5(9-16-1-2-17-9)8(12)4-6(7)10(13,14)15/h3-4,9H,1-2H2
InChIKeyVIGJJLMGSURZJW-UHFFFAOYSA-N
XLogP3.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.06
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(1,3-dioxolan-2-yl)-6-(trifluoromethyl)phenol
CID 130760257
2-[2-bromo-6-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 171367229
[3-bromo-4-(1,3-dioxolan-2-yl)-2,6-difluorophenyl]-trimethylsilane
CID 162504963
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927
2-[4-methoxy-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 130785461
1-bromo-2,5-difluoro-4-(trifluoromethyl)benzene
CID 22566588
1-bromo-4-fluoro-5-isothiocyanato-2-(trifluoromethyl)benzene
CID 166098769
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 178201686
5-bromo-3-(1,3-dioxolan-2-yl)-2-fluoropyridine
CID 126576136
2-(4-bromo-2-fluoro-3-methylphenyl)-1,3-dioxolane
CID 164894958
4-(1,3-dioxolan-2-yl)-3-fluorobenzaldehyde
CID 59255459

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 164512753) is 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane is Fc1cc(C(F)(F)F)c(Br)cc1C1OCCO1.
What is the InChIKey of 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is VIGJJLMGSURZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4O2/c11-7-3-5(9-16-1-2-17-9)8(12)4-6(7)10(13,14)15/h3-4,9H,1-2H2.
What are the key properties of 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 315.06 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 164512753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).