1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene

C13H9BrF2O — CID 55145542

IUPAC1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCc2cccc(Br)c2)c1F
InChIInChI=1S/C13H9BrF2O/c14-10-4-1-3-9(7-10)8-17-12-6-2-5-11(15)13(12)16/h1-7H,8H2
InChIKeyZOBSTGOUCMQTIZ-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.31
Rot. Bonds3

About 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene

1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene (PubChem CID 55145542) has the molecular formula C13H9BrF2O and a molecular weight of 299.11 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
PubChem CID55145542
Molecular FormulaC13H9BrF2O
Molecular Weight299.11 g/mol
Exact Mass297.98
IUPAC Name1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene
SMILESFc1cccc(OCc2cccc(Br)c2)c1F
InChIInChI=1S/C13H9BrF2O/c14-10-4-1-3-9(7-10)8-17-12-6-2-5-11(15)13(12)16/h1-7H,8H2
InChIKeyZOBSTGOUCMQTIZ-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
CID 60731007
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
1-[(3-bromophenyl)methoxy]-3-fluoro-2-nitrobenzene
CID 82824297
2-bromo-5-[(2,3-difluorophenoxy)methyl]aniline
CID 115557545
1-[2-[(3-bromophenyl)methoxy]-6-fluorophenyl]ethanamine
CID 82823693
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]boronic acid
CID 63036438
3-[3-[(2,3-difluorophenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 63037141
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene?
The IUPAC name of 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene (CID 55145542) is 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene is Fc1cccc(OCc2cccc(Br)c2)c1F.
What is the InChIKey of 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene?
The InChIKey is ZOBSTGOUCMQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O/c14-10-4-1-3-9(7-10)8-17-12-6-2-5-11(15)13(12)16/h1-7H,8H2.
What are the key properties of 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene?
1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene has a molecular weight of 299.11 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methoxy]-2,3-difluorobenzene is sourced from PubChem (CID 55145542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).