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

C13H7BrClF3O — CID 107098749

IUPAC5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cc(Br)cc(OCc2cccc(Cl)c2F)c1F
InChIInChI=1S/C13H7BrClF3O/c14-8-4-10(16)13(18)11(5-8)19-6-7-2-1-3-9(15)12(7)17/h1-5H,6H2
InChIKeyQNMVCHARVYPFSA-UHFFFAOYSA-N
MW351.55 g/mol
LogP5.10
Rot. Bonds3

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

5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene (PubChem CID 107098749) has the molecular formula C13H7BrClF3O and a molecular weight of 351.55 g/mol. Its IUPAC name is 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
PubChem CID107098749
Molecular FormulaC13H7BrClF3O
Molecular Weight351.55 g/mol
Exact Mass349.93
IUPAC Name5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cc(Br)cc(OCc2cccc(Cl)c2F)c1F
InChIInChI=1S/C13H7BrClF3O/c14-8-4-10(16)13(18)11(5-8)19-6-7-2-1-3-9(15)12(7)17/h1-5H,6H2
InChIKeyQNMVCHARVYPFSA-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.55
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-[(4-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098658
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
CID 102856373
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide
CID 102855956
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
4-bromo-N-[(3-chloro-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 114487594
[2-[(5-bromo-2,3-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 107097834
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The IUPAC name of 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene (CID 107098749) is 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene is Fc1cc(Br)cc(OCc2cccc(Cl)c2F)c1F.
What is the InChIKey of 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
The InChIKey is QNMVCHARVYPFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3O/c14-8-4-10(16)13(18)11(5-8)19-6-7-2-1-3-9(15)12(7)17/h1-5H,6H2.
What are the key properties of 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene?
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene has a molecular weight of 351.55 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 107098749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).