1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene

C13H8BrClF2O — CID 112652328

IUPAC1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
SMILESFc1cc(Br)cc(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C13H8BrClF2O/c14-9-4-10(16)6-11(5-9)18-7-8-2-1-3-12(17)13(8)15/h1-6H,7H2
InChIKeyRATDCXNHCNOZIU-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.96
Rot. Bonds3

About 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene

1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene (PubChem CID 112652328) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
PubChem CID112652328
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
SMILESFc1cc(Br)cc(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C13H8BrClF2O/c14-9-4-10(16)6-11(5-9)18-7-8-2-1-3-12(17)13(8)15/h1-6H,7H2
InChIKeyRATDCXNHCNOZIU-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

[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114175
1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619
1-bromo-4-[(2-chloro-3-fluorophenyl)methoxy]-2-methylbenzene
CID 112652330
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
3-[(3-bromo-5-fluorophenoxy)methyl]-2-chloroquinoline
CID 81314347
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene (CID 112652328) is 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene is Fc1cc(Br)cc(OCc2cccc(F)c2Cl)c1.
What is the InChIKey of 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene?
The InChIKey is RATDCXNHCNOZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-9-4-10(16)6-11(5-9)18-7-8-2-1-3-12(17)13(8)15/h1-6H,7H2.
What are the key properties of 1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene?
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-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-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene is sourced from PubChem (CID 112652328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).