3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde

C9H8BrFO2 — CID 117275832

IUPAC3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
SMILESCOCc1c(F)cc(C=O)cc1Br
InChIInChI=1S/C9H8BrFO2/c1-13-5-7-8(10)2-6(4-12)3-9(7)11/h2-4H,5H2,1H3
InChIKeyORYSYWBJDQLIGD-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.55
Rot. Bonds3

About 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde

3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde (PubChem CID 117275832) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde.

Molecular Properties

Compound Name3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
PubChem CID117275832
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
SMILESCOCc1c(F)cc(C=O)cc1Br
InChIInChI=1S/C9H8BrFO2/c1-13-5-7-8(10)2-6(4-12)3-9(7)11/h2-4H,5H2,1H3
InChIKeyORYSYWBJDQLIGD-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.55
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

ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
1-bromo-3-fluoro-5-(1-isocyanatocyclobutyl)-2-(methoxymethyl)benzene
CID 117499149
6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
CID 177047075
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305
4-[(3-bromo-2,6-difluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 106264128
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]pyrrolidine
CID 117465145
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448
3,5-difluoro-4-methylsulfonylbenzaldehyde
CID 11499527

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde?
The IUPAC name of 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde (CID 117275832) is 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde.
What is the SMILES notation for 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde?
The canonical SMILES for 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde is COCc1c(F)cc(C=O)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde?
The InChIKey is ORYSYWBJDQLIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-13-5-7-8(10)2-6(4-12)3-9(7)11/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde?
3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde has a molecular weight of 247.06 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde is sourced from PubChem (CID 117275832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).