4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene

C14H11BrF2O — CID 107170184

IUPAC4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2O/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7H,8H2,1H3
InChIKeySCUROGYLNPHDMB-UHFFFAOYSA-N
MW313.14 g/mol
LogP4.61
Rot. Bonds3

About 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene

4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene (PubChem CID 107170184) has the molecular formula C14H11BrF2O and a molecular weight of 313.14 g/mol. Its IUPAC name is 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
PubChem CID107170184
Molecular FormulaC14H11BrF2O
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
SMILESCc1ccc(OCc2ccc(Br)cc2F)cc1F
InChIInChI=1S/C14H11BrF2O/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7H,8H2,1H3
InChIKeySCUROGYLNPHDMB-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
2-[(4-bromo-2-fluorophenyl)methoxy]-1,3,4-trimethylbenzene
CID 60627093
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
4-[(3-bromophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107170182
5-[(4-bromo-2-fluorophenyl)methoxy]-2-fluoropyridine
CID 115282947
4-bromo-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 47111059
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
1-[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]propan-2-one
CID 115495326
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene?
The IUPAC name of 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene (CID 107170184) is 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene.
What is the SMILES notation for 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene?
The canonical SMILES for 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene is Cc1ccc(OCc2ccc(Br)cc2F)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene?
The InChIKey is SCUROGYLNPHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2O/c1-9-2-5-12(7-13(9)16)18-8-10-3-4-11(15)6-14(10)17/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene?
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene has a molecular weight of 313.14 g/mol, XLogP of 4.61, 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-[(3-fluoro-4-methylphenoxy)methyl]benzene is sourced from PubChem (CID 107170184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).