2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde

C14H9BrF2O2 — CID 105403669

IUPAC2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-14-2-1-13(5-10(14)7-18)19-8-9-3-11(16)6-12(17)4-9/h1-7H,8H2
InChIKeyUDSIYZYAYGGGCD-UHFFFAOYSA-N
MW327.12 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde

2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde (PubChem CID 105403669) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
PubChem CID105403669
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-14-2-1-13(5-10(14)7-18)19-8-9-3-11(16)6-12(17)4-9/h1-7H,8H2
InChIKeyUDSIYZYAYGGGCD-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
1-bromo-4-[(3,5-difluorophenyl)methoxy]-2-methylbenzene
CID 112694000
2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
CID 81497136
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
1-bromo-3-[(3-bromo-4-fluorophenoxy)methyl]-5-fluorobenzene
CID 83233067
2-bromo-5-(1,3-thiazol-5-ylmethoxy)benzaldehyde
CID 112640713
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
4-(4-bromo-3-formylphenoxy)butanoic acid
CID 19921916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde (CID 105403669) is 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde is O=Cc1cc(OCc2cc(F)cc(F)c2)ccc1Br.
What is the InChIKey of 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde?
The InChIKey is UDSIYZYAYGGGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c15-14-2-1-13(5-10(14)7-18)19-8-9-3-11(16)6-12(17)4-9/h1-7H,8H2.
What are the key properties of 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde?
2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde has a molecular weight of 327.12 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3,5-difluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 105403669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).