1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene

C13H8BrClF2O — CID 114849366

IUPAC1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COc1cc(Br)ccc1F
InChIInChI=1S/C13H8BrClF2O/c14-9-2-4-11(16)13(5-9)18-7-8-1-3-10(15)6-12(8)17/h1-6H,7H2
InChIKeyURJSRNFSJXNMCA-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.96
Rot. Bonds3

About 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene

1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene (PubChem CID 114849366) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
PubChem CID114849366
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
SMILESFc1cc(Cl)ccc1COc1cc(Br)ccc1F
InChIInChI=1S/C13H8BrClF2O/c14-9-2-4-11(16)13(5-9)18-7-8-1-3-10(15)6-12(8)17/h1-6H,7H2
InChIKeyURJSRNFSJXNMCA-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
1-[(4-bromophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 97046774
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 114857471
1-[5-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114847977
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
2-[(5-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 114671796
1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 62074774
(1R)-1-[2-[(4-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanol
CID 63364498
1-[(5-bromo-2-fluorophenoxy)methyl]-2-chloro-4-nitrobenzene
CID 114672979
[3-bromo-4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 114850115
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene (CID 114849366) is 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene is Fc1cc(Cl)ccc1COc1cc(Br)ccc1F.
What is the InChIKey of 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene?
The InChIKey is URJSRNFSJXNMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-9-2-4-11(16)13(5-9)18-7-8-1-3-10(15)6-12(8)17/h1-6H,7H2.
What are the key properties of 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene?
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene has a molecular weight of 333.56 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 114849366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).