4-bromo-3-(difluoromethoxy)benzaldehyde

C8H5BrF2O2 — CID 170359480

IUPAC4-bromo-3-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)c(OC(F)F)c1
InChIInChI=1S/C8H5BrF2O2/c9-6-2-1-5(4-12)3-7(6)13-8(10)11/h1-4,8H
InChIKeyQZLZHVPEPRWVBL-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.86
Rot. Bonds3

About 4-bromo-3-(difluoromethoxy)benzaldehyde

4-bromo-3-(difluoromethoxy)benzaldehyde (PubChem CID 170359480) has the molecular formula C8H5BrF2O2 and a molecular weight of 251.03 g/mol. Its IUPAC name is 4-bromo-3-(difluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-3-(difluoromethoxy)benzaldehyde
PubChem CID170359480
Molecular FormulaC8H5BrF2O2
Molecular Weight251.03 g/mol
Exact Mass249.94
IUPAC Name4-bromo-3-(difluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)c(OC(F)F)c1
InChIInChI=1S/C8H5BrF2O2/c9-6-2-1-5(4-12)3-7(6)13-8(10)11/h1-4,8H
InChIKeyQZLZHVPEPRWVBL-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'}

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Related Compounds

3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
3-[2-(difluoromethoxy)-4-formylphenyl]propanenitrile
CID 118831557
4-(difluoromethoxy)-3-(2,2,2-trifluoroethoxy)benzaldehyde
CID 19705430
4-(cyclopropylmethoxy)-3-(difluoromethoxy)benzaldehyde
CID 19705426
6-(difluoromethoxy)naphthalene-2-carbaldehyde
CID 118848493
4-(difluoromethoxy)benzaldehyde
CID 2736986
3-(cyclobutylmethoxy)-4-(difluoromethoxy)benzaldehyde
CID 19705417
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(difluoromethoxy)benzaldehyde?
The IUPAC name of 4-bromo-3-(difluoromethoxy)benzaldehyde (CID 170359480) is 4-bromo-3-(difluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-3-(difluoromethoxy)benzaldehyde?
The canonical SMILES for 4-bromo-3-(difluoromethoxy)benzaldehyde is O=Cc1ccc(Br)c(OC(F)F)c1.
What is the InChIKey of 4-bromo-3-(difluoromethoxy)benzaldehyde?
The InChIKey is QZLZHVPEPRWVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2O2/c9-6-2-1-5(4-12)3-7(6)13-8(10)11/h1-4,8H.
What are the key properties of 4-bromo-3-(difluoromethoxy)benzaldehyde?
4-bromo-3-(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 4-bromo-3-(difluoromethoxy)benzaldehyde is sourced from PubChem (CID 170359480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).