2-bromo-6-(difluoromethoxy)benzaldehyde

C8H5BrF2O2 — CID 118141947

IUPAC2-bromo-6-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(Br)cccc1OC(F)F
InChIInChI=1S/C8H5BrF2O2/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-4,8H
InChIKeyYIDKFKJYJWBGKX-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.86
Rot. Bonds3

About 2-bromo-6-(difluoromethoxy)benzaldehyde

2-bromo-6-(difluoromethoxy)benzaldehyde (PubChem CID 118141947) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 2-bromo-6-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-bromo-6-(difluoromethoxy)benzaldehyde
PubChem CID118141947
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name2-bromo-6-(difluoromethoxy)benzaldehyde
SMILESO=Cc1c(Br)cccc1OC(F)F
InChIInChI=1S/C8H5BrF2O2/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-4,8H
InChIKeyYIDKFKJYJWBGKX-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(difluoromethoxy)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

methyl 2-(3-bromo-2-formylphenoxy)propanoate
CID 86191770
2-bromo-6-(difluoromethoxy)-3-methylbenzaldehyde
CID 131351090
[[2-bromo-6-(difluoromethoxy)phenyl]methylideneamino]thiourea
CID 168535933
2-(1-chloro-2-oxopropyl)-6-(difluoromethoxy)benzaldehyde
CID 170837646
2,3-dichloro-6-(difluoromethoxy)benzaldehyde
CID 121228172
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
CID 175713970
methyl 3-bromo-5-(difluoromethoxy)-4-formylbenzoate
CID 171010649
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
3-bromo-2-formylbenzonitrile
CID 119020859

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(difluoromethoxy)benzaldehyde?
The IUPAC name of 2-bromo-6-(difluoromethoxy)benzaldehyde (CID 118141947) is 2-bromo-6-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-bromo-6-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 2-bromo-6-(difluoromethoxy)benzaldehyde is O=Cc1c(Br)cccc1OC(F)F.
What is the InChIKey of 2-bromo-6-(difluoromethoxy)benzaldehyde?
The InChIKey is YIDKFKJYJWBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c9-6-2-1-3-7(5(6)4-12)13-8(10)11/h1-4,8H.
What are the key properties of 2-bromo-6-(difluoromethoxy)benzaldehyde?
2-bromo-6-(difluoromethoxy)benzaldehyde has a molecular weight of 251.03 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 118141947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).