2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane

C14H10BrFO — CID 14518743

IUPAC2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(c3ccc(Br)cc3)CO2)cc1
InChIInChI=1S/C14H10BrFO/c15-12-5-1-10(2-6-12)14(9-17-14)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKeyDVSZBIJTTFNRAB-UHFFFAOYSA-N
MW293.14 g/mol
LogP3.86
Rot. Bonds2

About 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane

2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane (PubChem CID 14518743) has the molecular formula C14H10BrFO and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane
PubChem CID14518743
Molecular FormulaC14H10BrFO
Molecular Weight293.14 g/mol
Exact Mass291.99
IUPAC Name2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(c3ccc(Br)cc3)CO2)cc1
InChIInChI=1S/C14H10BrFO/c15-12-5-1-10(2-6-12)14(9-17-14)11-3-7-13(16)8-4-11/h1-8H,9H2
InChIKeyDVSZBIJTTFNRAB-UHFFFAOYSA-N
XLogP3.86
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(4-Bromophenyl)oxirane
CID 119460
2,2-Diphenyloxirane
CID 93564
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
(2S)-2-(4-bromophenyl)oxirane
CID 12163514
4-Bromobenzyl methyl ether
CID 12662296
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
2-(4-Bromophenyl)-2-methyloxirane
CID 150702
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
(R)-4-Bromostyrene oxide
CID 11217859
2-(4-Bromophenyl)-2-methyloxetane
CID 84134869
1-Bromo-4-[(trifluoromethoxy) methyl]benzene
CID 121235500
1-Bromo-4-(tert-butoxymethyl)benzene
CID 11096814

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane?
The IUPAC name of 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane (CID 14518743) is 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane is Fc1ccc(C2(c3ccc(Br)cc3)CO2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane?
The InChIKey is DVSZBIJTTFNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFO/c15-12-5-1-10(2-6-12)14(9-17-14)11-3-7-13(16)8-4-11/h1-8H,9H2.
What are the key properties of 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane?
2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane has a molecular weight of 293.14 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 14518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).