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

C10H6BrF3O2 — CID 141371872

IUPAC2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1(c2ccc(Br)cc2)OC=CO1
InChIInChI=1S/C10H6BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H
InChIKeyBCEDEDVONCMQQT-UHFFFAOYSA-N
MW295.05 g/mol
LogP3.68
Rot. Bonds1

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

2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole (PubChem CID 141371872) has the molecular formula C10H6BrF3O2 and a molecular weight of 295.05 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole
PubChem CID141371872
Molecular FormulaC10H6BrF3O2
Molecular Weight295.05 g/mol
Exact Mass293.95
IUPAC Name2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole
SMILESFC(F)(F)C1(c2ccc(Br)cc2)OC=CO1
InChIInChI=1S/C10H6BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H
InChIKeyBCEDEDVONCMQQT-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.05
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-bromophenyl)phenyl]-3-(trifluoromethyl)diaziridine
CID 132942830
dimethyl 4-(4-bromophenyl)-4-(trifluoromethyl)oxete-2,3-dicarboxylate
CID 102107633
azane;1,4-dibromobenzene
CID 175259215
1-(4-bromophenyl)-2,2,3,3,4,4,5,5-octafluorocyclopentan-1-ol
CID 15702483
1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine
CID 155978441
3-(4-bromophenyl)-3-[2-(trifluoromethylsulfanyl)ethyl]azetidine
CID 116628090
3-(4-bromophenyl)-3-fluoro-1-benzofuran-2-one
CID 164676802
4-(4-bromophenyl)-4-(fluoromethyl)oxane
CID 67363098
8-(4-bromophenyl)-8-[2-(trifluoromethyl)phenyl]sulfanyl-1,4-dioxaspiro[4.5]decane
CID 69210664
(4-bromophenyl)-tert-butyl-dimethylsilane
CID 15446452
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
4,12-dibromo-1,9-bis(trifluoromethyl)-17-oxa-8,16-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 164680283

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole?
The IUPAC name of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole (CID 141371872) is 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole.
What is the SMILES notation for 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole?
The canonical SMILES for 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole is FC(F)(F)C1(c2ccc(Br)cc2)OC=CO1.
What is the InChIKey of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole?
The InChIKey is BCEDEDVONCMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3O2/c11-8-3-1-7(2-4-8)9(10(12,13)14)15-5-6-16-9/h1-6H.
What are the key properties of 2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole?
2-(4-bromophenyl)-2-(trifluoromethyl)-1,3-dioxole has a molecular weight of 295.05 g/mol, XLogP of 3.68, 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-dioxole is sourced from PubChem (CID 141371872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).