1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene

C13H9BrClFO — CID 97046774

IUPAC1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C13H9BrClFO/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2
InChIKeyFRRZDZDTEAZNES-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.82
Rot. Bonds3

About 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene

1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene (PubChem CID 97046774) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
PubChem CID97046774
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COc1ccc(Br)cc1
InChIInChI=1S/C13H9BrClFO/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2
InChIKeyFRRZDZDTEAZNES-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
4-bromo-1-[(4-ethoxyphenoxy)methyl]-2-fluorobenzene
CID 60627290
N'-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethane-1,2-diamine
CID 117097512
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 104980107
4-chloro-2-fluoro-1-[(4-methylsulfonylphenoxy)methyl]benzene
CID 154798923
(1R)-1-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 104980144
4-bromo-1-[(4-tert-butylphenoxy)methyl]-2-fluorobenzene
CID 60627973
5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
2-[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanethioamide
CID 114849176

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene (CID 97046774) is 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1COc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene?
The InChIKey is FRRZDZDTEAZNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(15)7-13(9)16/h1-7H,8H2.
What are the key properties of 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene?
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene has a molecular weight of 315.57 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 97046774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).