2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane

C10H8BrF3O2 — CID 118106288

IUPAC2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2ccc(Br)cc2)OCCO1
InChIInChI=1S/C10H8BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-4H,5-6H2
InChIKeyIIWFZZGYJQWSJT-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.21
Rot. Bonds1

About 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane

2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane (PubChem CID 118106288) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane
PubChem CID118106288
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane
SMILESFC(F)(F)C1(c2ccc(Br)cc2)OCCO1
InChIInChI=1S/C10H8BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-4H,5-6H2
InChIKeyIIWFZZGYJQWSJT-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-4-(dimethoxymethyl)benzene
CID 688342
2-(4-Bromophenyl)oxolane
CID 14653181
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
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-(4-Bromophenyl)-1,3-dioxolane
CID 2773842
1-Bromo-4-[(trifluoromethoxy) methyl]benzene
CID 121235500
2-(Bromomethyl)-2-phenyl-1,3-dioxolane
CID 291574
1,3-Dioxolane-4-methanol, 2-(p-bromophenyl)-2-methyl-
CID 57628

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The IUPAC name of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane (CID 118106288) is 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane is FC(F)(F)C1(c2ccc(Br)cc2)OCCO1.
What is the InChIKey of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane?
The InChIKey is IIWFZZGYJQWSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-4H,5-6H2.
What are the key properties of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane?
2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane has a molecular weight of 297.07 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxolane is sourced from PubChem (CID 118106288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).