4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene

C13H9BrF2O — CID 55027056

IUPAC4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H9BrF2O/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyBJFGOZCKFBZBRN-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene

4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene (PubChem CID 55027056) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
PubChem CID55027056
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C13H9BrF2O/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2
InChIKeyBJFGOZCKFBZBRN-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

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
CID 115282947
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
N-[[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63500958
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CID 63289311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene (CID 55027056) is 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene is Fc1ccc(OCc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene?
The InChIKey is BJFGOZCKFBZBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-2-1-9(13(16)7-10)8-17-12-5-3-11(15)4-6-12/h1-7H,8H2.
What are the key properties of 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene?
4-bromo-2-fluoro-1-[(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 4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 55027056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).