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

C10H8BrF3O2 — CID 102433052

IUPAC2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-2-1-6(10(12,13)14)5-7(8)9-15-3-4-16-9/h1-2,5,9H,3-4H2
InChIKeyKCURSTHQMHTKLV-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.51
Rot. Bonds1

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

2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane (PubChem CID 102433052) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
PubChem CID102433052
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane
SMILESFC(F)(F)c1ccc(Br)c(C2OCCO2)c1
InChIInChI=1S/C10H8BrF3O2/c11-8-2-1-6(10(12,13)14)5-7(8)9-15-3-4-16-9/h1-2,5,9H,3-4H2
InChIKeyKCURSTHQMHTKLV-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
2-(2-Bromophenyl)-1,3-dioxolane
CID 553534
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-2-(diethoxymethyl)benzene
CID 3482778
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
2-Bromo-1-(diethoxymethyl)-4-fluorobenzene
CID 18357605
2-(4-Bromo-3-fluorophenyl)-1,3-dioxolane
CID 131524181
1-Bromo-2-(dimethoxymethyl)-4-fluorobenzene
CID 25189388
5-Bromo-2-(diethoxymethyl)-1,3-difluorobenzene
CID 58335267
2-(2-Bromo-4-fluorophenyl)-1,3-dioxolane
CID 66510852

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane (CID 102433052) is 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane is FC(F)(F)c1ccc(Br)c(C2OCCO2)c1.
What is the InChIKey of 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane?
The InChIKey is KCURSTHQMHTKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-2-1-6(10(12,13)14)5-7(8)9-15-3-4-16-9/h1-2,5,9H,3-4H2.
What are the key properties of 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane?
2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane has a molecular weight of 297.07 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(trifluoromethyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 102433052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).