2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane

C15H10BrClF2O — CID 87531309

IUPAC2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(CBr)OC2c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H10BrClF2O/c16-8-15(9-1-3-10(18)4-2-9)14(20-15)12-6-5-11(19)7-13(12)17/h1-7,14H,8H2
InChIKeyHPIHQTBJCGUVIA-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.98
Rot. Bonds3

About 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane

2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane (PubChem CID 87531309) has the molecular formula C15H10BrClF2O and a molecular weight of 359.60 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane.

Molecular Properties

Compound Name2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane
PubChem CID87531309
Molecular FormulaC15H10BrClF2O
Molecular Weight359.60 g/mol
Exact Mass357.96
IUPAC Name2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane
SMILESFc1ccc(C2(CBr)OC2c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C15H10BrClF2O/c16-8-15(9-1-3-10(18)4-2-9)14(20-15)12-6-5-11(19)7-13(12)17/h1-7,14H,8H2
InChIKeyHPIHQTBJCGUVIA-UHFFFAOYSA-N
XLogP4.98
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-(2-chloro-6-fluorophenyl)-2-phenyloxirane
CID 87531205
1-[[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazol-4-ium-4-amine
CID 11619086
2-(chloromethyl)-3-(2-chlorophenyl)-2-(3,5-difluorophenyl)oxirane
CID 87251597
[(2R,3S)-2-(4-fluorophenyl)-3-(2-methylphenyl)oxiran-2-yl]methanol
CID 88506424
3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-methyloxirane
CID 22364625
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-5-ethylsulfanyl-1,2,4-triazole
CID 87222809
2-chloro-1-(4,4-difluorocyclohexyl)-4-fluorobenzene
CID 177193132
[(2S,3S)-2-(4-fluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 54488264
4-amino-5-(2-chlorophenyl)-2-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole-3-thione
CID 89156615
5-butylsulfanyl-1-[[(2R,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
CID 87319357
2-(chloromethyl)-2-(3,4-difluorophenyl)-3-(4-fluorophenyl)oxirane
CID 87251607
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane?
The IUPAC name of 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane (CID 87531309) is 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane.
What is the SMILES notation for 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane?
The canonical SMILES for 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane is Fc1ccc(C2(CBr)OC2c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane?
The InChIKey is HPIHQTBJCGUVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O/c16-8-15(9-1-3-10(18)4-2-9)14(20-15)12-6-5-11(19)7-13(12)17/h1-7,14H,8H2.
What are the key properties of 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane?
2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane has a molecular weight of 359.60 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(2-chloro-4-fluorophenyl)-2-(4-fluorophenyl)oxirane is sourced from PubChem (CID 87531309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).