1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene

C13H7BrCl2F2O — CID 106269934

IUPAC1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl2F2O/c14-9-2-4-12(17)8(13(9)18)6-19-7-1-3-10(15)11(16)5-7/h1-5H,6H2
InChIKeyJOWHNFPPSUBEKI-UHFFFAOYSA-N
MW368.00 g/mol
LogP5.61
Rot. Bonds3

About 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene

1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene (PubChem CID 106269934) has the molecular formula C13H7BrCl2F2O and a molecular weight of 368.00 g/mol. Its IUPAC name is 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
PubChem CID106269934
Molecular FormulaC13H7BrCl2F2O
Molecular Weight368.00 g/mol
Exact Mass365.90
IUPAC Name1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene
SMILESFc1ccc(Br)c(F)c1COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H7BrCl2F2O/c14-9-2-4-12(17)8(13(9)18)6-19-7-1-3-10(15)11(16)5-7/h1-5H,6H2
InChIKeyJOWHNFPPSUBEKI-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.00
LogP ≤ 55.61
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

1-bromo-2,4-difluoro-3-[(2,4,5-trichlorophenoxy)methyl]benzene
CID 106269847
4-[(3-bromo-2,6-difluorophenyl)methoxy]-2-chlorobenzenecarbothioamide
CID 106264054
2-[(3-bromo-2,6-difluorophenyl)methoxy]-4,5-dichloroaniline
CID 106262854
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
1-bromo-2,4-difluoro-3-[(3-iodophenoxy)methyl]benzene
CID 106264107
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
3-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460309
1-bromo-2,4-difluoro-3-[(4-propylphenoxy)methyl]benzene
CID 106269980
2-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanol
CID 106264542
1-bromo-2,4-difluoro-3-[(4-nitrophenoxy)methyl]benzene
CID 106269937
[2-[(3-bromo-2,6-difluorophenyl)methoxy]-5-chlorophenyl]methanol
CID 106264375
1-bromo-3-[(5-bromo-2,3-difluorophenoxy)methyl]-2,4-difluorobenzene
CID 106264121

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene (CID 106269934) is 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene is Fc1ccc(Br)c(F)c1COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene?
The InChIKey is JOWHNFPPSUBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2O/c14-9-2-4-12(17)8(13(9)18)6-19-7-1-3-10(15)11(16)5-7/h1-5H,6H2.
What are the key properties of 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene?
1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene has a molecular weight of 368.00 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(3,4-dichlorophenoxy)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 106269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).