2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol

C14H12Br2F2O3 — CID 167679834

IUPAC2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
SMILESCOCOc1cccc(F)c1Br.Oc1cccc(F)c1Br
InChIInChI=1S/C8H8BrFO2.C6H4BrFO/c1-11-5-12-7-4-2-3-6(10)8(7)9;7-6-4(8)2-1-3-5(6)9/h2-4H,5H2,1H3;1-3,9H
InChIKeyVJASNDCSMYZYHK-UHFFFAOYSA-N
MW426.05 g/mol
LogP4.86
Rot. Bonds3

About 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol

2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol (PubChem CID 167679834) has the molecular formula C14H12Br2F2O3 and a molecular weight of 426.05 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
PubChem CID167679834
Molecular FormulaC14H12Br2F2O3
Molecular Weight426.05 g/mol
Exact Mass423.91
IUPAC Name2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol
SMILESCOCOc1cccc(F)c1Br.Oc1cccc(F)c1Br
InChIInChI=1S/C8H8BrFO2.C6H4BrFO/c1-11-5-12-7-4-2-3-6(10)8(7)9;7-6-4(8)2-1-3-5(6)9/h2-4H,5H2,1H3;1-3,9H
InChIKeyVJASNDCSMYZYHK-UHFFFAOYSA-N
XLogP4.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.05
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromobenzene-1,3-diol;2-bromo-1,3-bis(methoxymethoxy)benzene;methane
CID 161492235
2-fluoro-3-(methoxymethoxy)phenol
CID 125115962
2-bromo-1-chloro-3-(methoxymethoxy)benzene
CID 164894389
2-bromo-3-(methoxymethoxy)benzaldehyde
CID 59515258
1-bromo-2-(methoxymethoxy)benzene;ethane
CID 91232598
2-bromo-4-fluoro-5-(methoxymethoxy)phenol;4-fluoro-3-(methoxymethoxy)phenol
CID 159809737
1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
CID 11253913
methyl 4-[2-fluoro-6-(methoxymethoxy)phenyl]benzoate
CID 90379297
methyl 4-[2-fluoro-6-(methoxymethoxy)benzoyl]benzoate
CID 54443547
2-(1-ethylcyclopropyl)-3-(methoxymethoxy)phenol
CID 147825187
2-bromo-1-fluoro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513356
2-fluoro-6-[2-(methoxymethoxy)phenyl]benzaldehyde
CID 172649734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol?
The IUPAC name of 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol (CID 167679834) is 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol.
What is the SMILES notation for 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol?
The canonical SMILES for 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol is COCOc1cccc(F)c1Br.Oc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol?
The InChIKey is VJASNDCSMYZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2.C6H4BrFO/c1-11-5-12-7-4-2-3-6(10)8(7)9;7-6-4(8)2-1-3-5(6)9/h2-4H,5H2,1H3;1-3,9H.
What are the key properties of 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol?
2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol has a molecular weight of 426.05 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-3-(methoxymethoxy)benzene;2-bromo-3-fluorophenol is sourced from PubChem (CID 167679834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).