7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene

C15H12BrFO — CID 66419906

IUPAC7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESFc1cc(OCC2Cc3ccccc32)ccc1Br
InChIInChI=1S/C15H12BrFO/c16-14-6-5-12(8-15(14)17)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11H,7,9H2
InChIKeyRYQAAOBIMOGPBJ-UHFFFAOYSA-N
MW307.16 g/mol
LogP4.31
Rot. Bonds3

About 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene

7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 66419906) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
PubChem CID66419906
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
SMILESFc1cc(OCC2Cc3ccccc32)ccc1Br
InChIInChI=1S/C15H12BrFO/c16-14-6-5-12(8-15(14)17)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11H,7,9H2
InChIKeyRYQAAOBIMOGPBJ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-[(2-bromo-4-methoxyphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 104707526
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3,5-difluorophenyl]methanol
CID 79887800
7-[(2-bromo-4-methylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 66419117
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2,4-difluoroaniline
CID 102853360
1-bromo-2-fluoro-4-prop-2-ynoxybenzene
CID 65204026
7-[[3-(3-chloroprop-1-ynyl)-5-fluorophenoxy]methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 81314905
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-5-bromophenyl]ethanamine
CID 66397004
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-bromophenyl]methanamine
CID 66418101
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)-3-bromobenzenesulfonyl chloride
CID 66417913
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethoxy)phenol
CID 66417200
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857

Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene (CID 66419906) is 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene is Fc1cc(OCC2Cc3ccccc32)ccc1Br.
What is the InChIKey of 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is RYQAAOBIMOGPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-14-6-5-12(8-15(14)17)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11H,7,9H2.
What are the key properties of 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene?
7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 307.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromo-3-fluorophenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 66419906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).