4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene

C13H8BrClF2O — CID 82918187

IUPAC4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C13H8BrClF2O/c14-9-2-3-10(15)13(6-9)18-7-8-1-4-11(16)12(17)5-8/h1-6H,7H2
InChIKeyRJFFTRQOOAKUQR-UHFFFAOYSA-N
MW333.56 g/mol
LogP4.96
Rot. Bonds3

About 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene

4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene (PubChem CID 82918187) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
PubChem CID82918187
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2cc(Br)ccc2Cl)cc1F
InChIInChI=1S/C13H8BrClF2O/c14-9-2-3-10(15)13(6-9)18-7-8-1-4-11(16)12(17)5-8/h1-6H,7H2
InChIKeyRJFFTRQOOAKUQR-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-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037684
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698528
4-bromo-1-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 114672595
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
1,2-difluoro-4-[(2-fluorophenoxy)methyl]benzene
CID 78846462
1-[3-chloro-4-[(3,4-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 82918677
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene (CID 82918187) is 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene is Fc1ccc(COc2cc(Br)ccc2Cl)cc1F.
What is the InChIKey of 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene?
The InChIKey is RJFFTRQOOAKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-9-2-3-10(15)13(6-9)18-7-8-1-4-11(16)12(17)5-8/h1-6H,7H2.
What are the key properties of 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene?
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene 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 4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene is sourced from PubChem (CID 82918187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).