5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine

C15H10BrClF2O2 — CID 166094969

IUPAC5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine
SMILESFCC1(c2ccc(Cl)cc2F)COc2cccc(Br)c2O1
InChIInChI=1S/C15H10BrClF2O2/c16-11-2-1-3-13-14(11)21-15(7-18,8-20-13)10-5-4-9(17)6-12(10)19/h1-6H,7-8H2
InChIKeyUZOOZVCDMWCPEZ-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.88
Rot. Bonds2

About 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine

5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine (PubChem CID 166094969) has the molecular formula C15H10BrClF2O2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine.

Molecular Properties

Compound Name5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine
PubChem CID166094969
Molecular FormulaC15H10BrClF2O2
Molecular Weight375.60 g/mol
Exact Mass373.95
IUPAC Name5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine
SMILESFCC1(c2ccc(Cl)cc2F)COc2cccc(Br)c2O1
InChIInChI=1S/C15H10BrClF2O2/c16-11-2-1-3-13-14(11)21-15(7-18,8-20-13)10-5-4-9(17)6-12(10)19/h1-6H,7-8H2
InChIKeyUZOOZVCDMWCPEZ-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine?
The IUPAC name of 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine (CID 166094969) is 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine.
What is the SMILES notation for 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine?
The canonical SMILES for 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine is FCC1(c2ccc(Cl)cc2F)COc2cccc(Br)c2O1.
What is the InChIKey of 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine?
The InChIKey is UZOOZVCDMWCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2O2/c16-11-2-1-3-13-14(11)21-15(7-18,8-20-13)10-5-4-9(17)6-12(10)19/h1-6H,7-8H2.
What are the key properties of 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine?
5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine has a molecular weight of 375.60 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-chloro-2-fluorophenyl)-3-(fluoromethyl)-2H-1,4-benzodioxine is sourced from PubChem (CID 166094969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).