1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene

C13H9BrF2O — CID 79702949

IUPAC1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C13H9BrF2O/c14-10-5-9(6-12(16)7-10)8-17-13-3-1-11(15)2-4-13/h1-7H,8H2
InChIKeyYUGYCQBINFUYQV-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene

1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene (PubChem CID 79702949) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
PubChem CID79702949
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C13H9BrF2O/c14-10-5-9(6-12(16)7-10)8-17-13-3-1-11(15)2-4-13/h1-7H,8H2
InChIKeyYUGYCQBINFUYQV-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3-bromo-5-fluorophenyl)methoxy]-N-methylaniline
CID 79708992
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
4-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-ol
CID 79698405
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 79697854
1-bromo-3-fluoro-5-(2-phenoxyethoxymethyl)benzene
CID 79701276
6-[(3-bromo-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79698408
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
2-bromo-4-[(4-fluorophenoxy)methyl]aniline
CID 117220466
1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
CID 81332352

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene?
The IUPAC name of 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene (CID 79702949) is 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene?
The canonical SMILES for 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene is Fc1ccc(OCc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene?
The InChIKey is YUGYCQBINFUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-5-9(6-12(16)7-10)8-17-13-3-1-11(15)2-4-13/h1-7H,8H2.
What are the key properties of 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene?
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene has a molecular weight of 299.11 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 1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 79702949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).