3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde

C14H8Br2F2O2 — CID 107738201

IUPAC3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H8Br2F2O2/c15-10-4-8(6-19)5-11(16)14(10)20-7-9-12(17)2-1-3-13(9)18/h1-6H,7H2
InChIKeyNWDKUZFBSXMEEG-UHFFFAOYSA-N
MW406.02 g/mol
LogP4.88
Rot. Bonds4

About 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde

3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde (PubChem CID 107738201) has the molecular formula C14H8Br2F2O2 and a molecular weight of 406.02 g/mol. Its IUPAC name is 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
PubChem CID107738201
Molecular FormulaC14H8Br2F2O2
Molecular Weight406.02 g/mol
Exact Mass403.89
IUPAC Name3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2c(F)cccc2F)c(Br)c1
InChIInChI=1S/C14H8Br2F2O2/c15-10-4-8(6-19)5-11(16)14(10)20-7-9-12(17)2-1-3-13(9)18/h1-6H,7H2
InChIKeyNWDKUZFBSXMEEG-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.02
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
4-[(3-bromo-2,6-difluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 106264128
3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 107738404
3,5-dibromo-4-(phenylmethoxymethoxy)benzaldehyde
CID 107738219
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
CID 117275832
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
4-(1-benzothiophen-3-ylmethoxy)-3,5-dibromobenzaldehyde
CID 107738165
3,5-dibromo-4-(2,2-difluoro-2-phenylethoxy)benzaldehyde
CID 107738275
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde (CID 107738201) is 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde is O=Cc1cc(Br)c(OCc2c(F)cccc2F)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde?
The InChIKey is NWDKUZFBSXMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2F2O2/c15-10-4-8(6-19)5-11(16)14(10)20-7-9-12(17)2-1-3-13(9)18/h1-6H,7H2.
What are the key properties of 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde?
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde has a molecular weight of 406.02 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 107738201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).