2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde

C14H9BrF2O2 — CID 82918902

IUPAC2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-7H,8H2
InChIKeyCFAHLIRYCLMFMT-UHFFFAOYSA-N
MW327.12 g/mol
LogP4.12
Rot. Bonds4

About 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde

2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde (PubChem CID 82918902) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
PubChem CID82918902
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br
InChIInChI=1S/C14H9BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-7H,8H2
InChIKeyCFAHLIRYCLMFMT-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-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403669
2-bromo-5-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 58990542
[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
1-[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 82915380
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
CID 103695236
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965
5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794837
4-[(4-bromo-3-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698455
2-bromo-5-[(5-fluoro-2-nitrophenyl)methoxy]benzaldehyde
CID 81497136
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde (CID 82918902) is 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde is O=Cc1cc(OCc2ccc(F)c(F)c2)ccc1Br.
What is the InChIKey of 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde?
The InChIKey is CFAHLIRYCLMFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c15-12-3-2-11(6-10(12)7-18)19-8-9-1-4-13(16)14(17)5-9/h1-7H,8H2.
What are the key properties of 2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde?
2-bromo-5-[(3,4-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-[(3,4-difluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 82918902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).