1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene

C14H10Br2ClFO — CID 102856373

IUPAC1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1COc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br2ClFO/c15-7-10-6-11(16)4-5-13(10)19-8-9-2-1-3-12(17)14(9)18/h1-6H,7-8H2
InChIKeyIICHSQFADYALSB-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.72
Rot. Bonds4

About 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene

1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene (PubChem CID 102856373) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
PubChem CID102856373
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene
SMILESFc1c(Cl)cccc1COc1ccc(Br)cc1CBr
InChIInChI=1S/C14H10Br2ClFO/c15-7-10-6-11(16)4-5-13(10)19-8-9-2-1-3-12(17)14(9)18/h1-6H,7-8H2
InChIKeyIICHSQFADYALSB-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
1-[5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanamine
CID 102855714
3-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107118657
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
5-bromo-2-[(3-chloro-2-fluorophenyl)methoxy]benzenecarbothioamide
CID 102855956
5-bromo-1-[(3-chloro-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 107098749
2-bromo-3-[(3-chloro-2-fluorophenyl)methoxy]pyridine
CID 103695221
5-bromo-2-[(3-chloro-2-fluorophenoxy)methyl]aniline
CID 114380891
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[5-bromo-2-[(2,3-dichlorophenyl)methoxy]phenyl]ethanamine
CID 107309269
1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene?
The IUPAC name of 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene (CID 102856373) is 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene?
The canonical SMILES for 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene is Fc1c(Cl)cccc1COc1ccc(Br)cc1CBr.
What is the InChIKey of 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene?
The InChIKey is IICHSQFADYALSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-7-10-6-11(16)4-5-13(10)19-8-9-2-1-3-12(17)14(9)18/h1-6H,7-8H2.
What are the key properties of 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene?
1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene has a molecular weight of 408.49 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3-chloro-2-fluorobenzene is sourced from PubChem (CID 102856373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).